4-[(8-cyclopentyl-6,7-dioxo-5H-pteridin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide

C18H27N7O4S — CID 171349598

IUPAC4-[(8-cyclopentyl-6,7-dioxo-5H-pteridin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Nc2ncc3[nH]c(=O)c(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C18H27N7O4S/c1-23(2)30(28,29)24-9-7-12(8-10-24)20-18-19-11-14-15(22-18)25(13-5-3-4-6-13)17(27)16(26)21-14/h11-13H,3-10H2,1-2H3,(H,21,26)(H,19,20,22)
InChIKeyWSMDISWZRPKJEC-UHFFFAOYSA-N
MW437.53 g/mol
LogP0.28
Rot. Bonds5

About 4-[(8-cyclopentyl-6,7-dioxo-5H-pteridin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide

4-[(8-cyclopentyl-6,7-dioxo-5H-pteridin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 171349598) has the molecular formula C18H27N7O4S and a molecular weight of 437.53 g/mol. Its IUPAC name is 4-[(8-cyclopentyl-6,7-dioxo-5H-pteridin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[(8-cyclopentyl-6,7-dioxo-5H-pteridin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID171349598
Molecular FormulaC18H27N7O4S
Molecular Weight437.53 g/mol
Exact Mass437.18
IUPAC Name4-[(8-cyclopentyl-6,7-dioxo-5H-pteridin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Nc2ncc3[nH]c(=O)c(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C18H27N7O4S/c1-23(2)30(28,29)24-9-7-12(8-10-24)20-18-19-11-14-15(22-18)25(13-5-3-4-6-13)17(27)16(26)21-14/h11-13H,3-10H2,1-2H3,(H,21,26)(H,19,20,22)
InChIKeyWSMDISWZRPKJEC-UHFFFAOYSA-N
XLogP0.28
TPSA133.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[(8-cyclopentyl-6,7-dioxo-5H-pteridin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide with MolForge

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Related Compounds

(7r)-8-Cyclopentyl-7-Ethyl-5-Methyl-7,8-Dihydropteridin-6(5h)-One
CID 71739407
(R)-2-Chloro-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one
CID 24820413
8-Cyclopentyl-2-(2,2-difluoroethylamino)-6-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one
CID 171343052
8-Cyclopentyl-6-(methylamino)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one
CID 171343229
2-[(1-methylsulfonylpiperidin-4-yl)amino]-8-pentan-3-yl-5H-pteridine-6,7-dione
CID 171344335
8-Cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]-6-(methylamino)pteridin-7-one
CID 171345208
8-[(1R,2R)-2-hydroxycyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-5H-pteridine-6,7-dione
CID 171348208
8-butan-2-yl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-5H-pteridine-6,7-dione
CID 171349420
8-Cyclopentyl-6-methoxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]pteridin-7-one
CID 171350176
8-Cyclopentyl-2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-6-(methylamino)pteridin-7-one
CID 171350277
4-[(8-cyclopentyl-2-hydrazinyl-7-oxopteridin-6-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide
CID 171350360
8-cyclopentyl-2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-5H-pteridine-6,7-dione
CID 171350617

Frequently Asked Questions

What is the IUPAC name of 4-[(8-cyclopentyl-6,7-dioxo-5H-pteridin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-[(8-cyclopentyl-6,7-dioxo-5H-pteridin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide (CID 171349598) is 4-[(8-cyclopentyl-6,7-dioxo-5H-pteridin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[(8-cyclopentyl-6,7-dioxo-5H-pteridin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[(8-cyclopentyl-6,7-dioxo-5H-pteridin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(Nc2ncc3[nH]c(=O)c(=O)n(C4CCCC4)c3n2)CC1.
What is the InChIKey of 4-[(8-cyclopentyl-6,7-dioxo-5H-pteridin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is WSMDISWZRPKJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O4S/c1-23(2)30(28,29)24-9-7-12(8-10-24)20-18-19-11-14-15(22-18)25(13-5-3-4-6-13)17(27)16(26)21-14/h11-13H,3-10H2,1-2H3,(H,21,26)(H,19,20,22).
What are the key properties of 4-[(8-cyclopentyl-6,7-dioxo-5H-pteridin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide?
4-[(8-cyclopentyl-6,7-dioxo-5H-pteridin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 437.53 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-cyclopentyl-6,7-dioxo-5H-pteridin-2-yl)amino]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 171349598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).