(6R,10R)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

C19H26ClN3O2S — CID 31818101

IUPAC(6R,10R)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC=CCN(Cc1ccc(Cl)s1)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C
InChIInChI=1S/C19H26ClN3O2S/c1-4-10-22(11-15-8-9-16(20)26-15)12-23-17(24)19(21-18(23)25)13(2)6-5-7-14(19)3/h4,8-9,13-14H,1,5-7,10-12H2,2-3H3,(H,21,25)/t13-,14-/m1/s1
InChIKeyCYCDXTRIZOSDNU-ZIAGYGMSSA-N
MW395.96 g/mol
LogP4.09
Rot. Bonds6

About (6R,10R)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

(6R,10R)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 31818101) has the molecular formula C19H26ClN3O2S and a molecular weight of 395.96 g/mol. Its IUPAC name is (6R,10R)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(6R,10R)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID31818101
Molecular FormulaC19H26ClN3O2S
Molecular Weight395.96 g/mol
Exact Mass395.14
IUPAC Name(6R,10R)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC=CCN(Cc1ccc(Cl)s1)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C
InChIInChI=1S/C19H26ClN3O2S/c1-4-10-22(11-15-8-9-16(20)26-15)12-23-17(24)19(21-18(23)25)13(2)6-5-7-14(19)3/h4,8-9,13-14H,1,5-7,10-12H2,2-3H3,(H,21,25)/t13-,14-/m1/s1
InChIKeyCYCDXTRIZOSDNU-ZIAGYGMSSA-N
XLogP4.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.96
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5S)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31281610
(6S,10S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31700734
1-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]benzo[cd]indol-2-one
CID 9172146
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8571722
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51177344
(5-chlorothiophen-2-yl)methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-prop-2-enylazanium
CID 9172066
(3aR,7aS)-2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 9171902
3-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 86927868
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide
CID 78621928
6,10-dimethyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42890891
(2S,4S)-N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-N-prop-2-enylpiperidine-4-carboxamide
CID 120618136
(2S,4S)-N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-N-prop-2-enylpiperidine-4-carboxamide;hydrochloride
CID 120618135

Frequently Asked Questions

What is the IUPAC name of (6R,10R)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (6R,10R)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 31818101) is (6R,10R)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (6R,10R)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (6R,10R)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is C=CCN(Cc1ccc(Cl)s1)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C.
What is the InChIKey of (6R,10R)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is CYCDXTRIZOSDNU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H26ClN3O2S/c1-4-10-22(11-15-8-9-16(20)26-15)12-23-17(24)19(21-18(23)25)13(2)6-5-7-14(19)3/h4,8-9,13-14H,1,5-7,10-12H2,2-3H3,(H,21,25)/t13-,14-/m1/s1.
What are the key properties of (6R,10R)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(6R,10R)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 395.96 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,10R)-3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 31818101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).