N-[1-(aminomethyl)cyclopentyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride

C12H21ClN4O4S — CID 119980924

IUPACN-[1-(aminomethyl)cyclopentyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)NC2(CN)CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O4S.ClH/c1-15-7-9(10(17)16(2)11(15)18)21(19,20)14-12(8-13)5-3-4-6-12;/h7,14H,3-6,8,13H2,1-2H3;1H
InChIKeyZRTZMBLPRFGUHV-UHFFFAOYSA-N
MW352.84 g/mol
LogP-0.94
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride (PubChem CID 119980924) has the molecular formula C12H21ClN4O4S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
PubChem CID119980924
Molecular FormulaC12H21ClN4O4S
Molecular Weight352.84 g/mol
Exact Mass352.10
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)NC2(CN)CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O4S.ClH/c1-15-7-9(10(17)16(2)11(15)18)21(19,20)14-12(8-13)5-3-4-6-12;/h7,14H,3-6,8,13H2,1-2H3;1H
InChIKeyZRTZMBLPRFGUHV-UHFFFAOYSA-N
XLogP-0.94
TPSA116.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(aminomethyl)cyclopentyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride (CID 119980924) is N-[1-(aminomethyl)cyclopentyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride is Cl.Cn1cc(S(=O)(=O)NC2(CN)CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride?
The InChIKey is ZRTZMBLPRFGUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S.ClH/c1-15-7-9(10(17)16(2)11(15)18)21(19,20)14-12(8-13)5-3-4-6-12;/h7,14H,3-6,8,13H2,1-2H3;1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride has a molecular weight of 352.84 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride is sourced from PubChem (CID 119980924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).