4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride

C15H24ClN3O4S2 — CID 119980930

IUPAC4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride
SMILESCl.NCC1(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CCCC1
InChIInChI=1S/C15H23N3O4S2.ClH/c16-11-15(9-1-2-10-15)18-24(21,22)14-7-5-13(6-8-14)23(19,20)17-12-3-4-12;/h5-8,12,17-18H,1-4,9-11,16H2;1H
InChIKeyBTPOFHVEORYUKH-UHFFFAOYSA-N
MW409.96 g/mol
LogP1.10
Rot. Bonds7

About 4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride

4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride (PubChem CID 119980930) has the molecular formula C15H24ClN3O4S2 and a molecular weight of 409.96 g/mol. Its IUPAC name is 4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride.

Molecular Properties

Compound Name4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride
PubChem CID119980930
Molecular FormulaC15H24ClN3O4S2
Molecular Weight409.96 g/mol
Exact Mass409.09
IUPAC Name4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride
SMILESCl.NCC1(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CCCC1
InChIInChI=1S/C15H23N3O4S2.ClH/c16-11-15(9-1-2-10-15)18-24(21,22)14-7-5-13(6-8-14)23(19,20)17-12-3-4-12;/h5-8,12,17-18H,1-4,9-11,16H2;1H
InChIKeyBTPOFHVEORYUKH-UHFFFAOYSA-N
XLogP1.10
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine
CID 114803346
ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate
CID 119980917
N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide
CID 28941372
N-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide
CID 43119831
N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride
CID 119980920
4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119980966
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide
CID 103828999
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120710187
N-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide
CID 63766993
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide
CID 120710188
1-N-(3-aminopropyl)-4-N-cyclopropylbenzene-1,4-disulfonamide
CID 119962220

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride?
The IUPAC name of 4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride (CID 119980930) is 4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride.
What is the SMILES notation for 4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride?
The canonical SMILES for 4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride is Cl.NCC1(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CCCC1.
What is the InChIKey of 4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride?
The InChIKey is BTPOFHVEORYUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S2.ClH/c16-11-15(9-1-2-10-15)18-24(21,22)14-7-5-13(6-8-14)23(19,20)17-12-3-4-12;/h5-8,12,17-18H,1-4,9-11,16H2;1H.
What are the key properties of 4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride?
4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride is sourced from PubChem (CID 119980930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).