(5-chlorothiophen-2-yl)methyl-methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium

C17H24ClN4O3S+ — CID 8787084

IUPAC(5-chlorothiophen-2-yl)methyl-methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+](C)Cc1ccc(Cl)s1)C2=O
InChIInChI=1S/C17H23ClN4O3S/c1-11-5-7-17(8-6-11)15(24)22(16(25)19-17)20-14(23)10-21(2)9-12-3-4-13(18)26-12/h3-4,11H,5-10H2,1-2H3,(H,19,25)(H,20,23)/p+1
InChIKeyZASHWIPBDFMAIA-UHFFFAOYSA-O
MW399.92 g/mol
LogP0.95
Rot. Bonds5

About (5-chlorothiophen-2-yl)methyl-methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium

(5-chlorothiophen-2-yl)methyl-methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium (PubChem CID 8787084) has the molecular formula C17H24ClN4O3S+ and a molecular weight of 399.92 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)methyl-methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)methyl-methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
PubChem CID8787084
Molecular FormulaC17H24ClN4O3S+
Molecular Weight399.92 g/mol
Exact Mass399.13
IUPAC Name(5-chlorothiophen-2-yl)methyl-methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+](C)Cc1ccc(Cl)s1)C2=O
InChIInChI=1S/C17H23ClN4O3S/c1-11-5-7-17(8-6-11)15(24)22(16(25)19-17)20-14(23)10-21(2)9-12-3-4-13(18)26-12/h3-4,11H,5-10H2,1-2H3,(H,19,25)(H,20,23)/p+1
InChIKeyZASHWIPBDFMAIA-UHFFFAOYSA-O
XLogP0.95
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-chlorothiophen-2-yl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium
CID 9171796
2-(2,4-dichlorophenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 27802772
(2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium
CID 8538402
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-phenylphenyl)acetamide
CID 27802749
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 8503480
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 24545817
(5-chlorothiophen-2-yl)methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-prop-2-enylazanium
CID 9172066
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55989815
(5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium
CID 8787229
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 16523121
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2710885
[2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium
CID 9293505

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)methyl-methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium?
The IUPAC name of (5-chlorothiophen-2-yl)methyl-methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium (CID 8787084) is (5-chlorothiophen-2-yl)methyl-methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for (5-chlorothiophen-2-yl)methyl-methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium?
The canonical SMILES for (5-chlorothiophen-2-yl)methyl-methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium is CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+](C)Cc1ccc(Cl)s1)C2=O.
What is the InChIKey of (5-chlorothiophen-2-yl)methyl-methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium?
The InChIKey is ZASHWIPBDFMAIA-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23ClN4O3S/c1-11-5-7-17(8-6-11)15(24)22(16(25)19-17)20-14(23)10-21(2)9-12-3-4-13(18)26-12/h3-4,11H,5-10H2,1-2H3,(H,19,25)(H,20,23)/p+1.
What are the key properties of (5-chlorothiophen-2-yl)methyl-methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium?
(5-chlorothiophen-2-yl)methyl-methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium has a molecular weight of 399.92 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)methyl-methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8787084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).