3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

C18H26BrN3O2S — CID 18190420

IUPAC3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CN(C)Cc1ccc(Br)s1)C2=O
InChIInChI=1S/C18H26BrN3O2S/c1-12-7-17(2,3)10-18(8-12)15(23)22(16(24)20-18)11-21(4)9-13-5-6-14(19)25-13/h5-6,12H,7-11H2,1-4H3,(H,20,24)
InChIKeyAMLCUZYDDOWFEX-UHFFFAOYSA-N
MW428.40 g/mol
LogP4.04
Rot. Bonds4

About 3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 18190420) has the molecular formula C18H26BrN3O2S and a molecular weight of 428.40 g/mol. Its IUPAC name is 3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID18190420
Molecular FormulaC18H26BrN3O2S
Molecular Weight428.40 g/mol
Exact Mass427.09
IUPAC Name3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CN(C)Cc1ccc(Br)s1)C2=O
InChIInChI=1S/C18H26BrN3O2S/c1-12-7-17(2,3)10-18(8-12)15(23)22(16(24)20-18)11-21(4)9-13-5-6-14(19)25-13/h5-6,12H,7-11H2,1-4H3,(H,20,24)
InChIKeyAMLCUZYDDOWFEX-UHFFFAOYSA-N
XLogP4.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S,9S)-3-[[(4-bromophenyl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 26003013
(5R,9R)-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51673238
(5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9172206
(5S,9R)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8002516
N-methoxy-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43010885
1-[(5-bromothiophen-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-ol
CID 65147426
(5S,9S)-3-[[(4S)-1,3-dioxan-4-yl]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7910416
N-(furan-2-ylmethyl)-N-phenyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55443414
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine
CID 115211660
N-(4-acetamidophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18775895
N-cyclopropyl-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25388631
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55449458

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 18190420) is 3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CC(C)(C)CC2(C1)NC(=O)N(CN(C)Cc1ccc(Br)s1)C2=O.
What is the InChIKey of 3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is AMLCUZYDDOWFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN3O2S/c1-12-7-17(2,3)10-18(8-12)15(23)22(16(24)20-18)11-21(4)9-13-5-6-14(19)25-13/h5-6,12H,7-11H2,1-4H3,(H,20,24).
What are the key properties of 3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 428.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 18190420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).