N-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-N,3-dimethylbenzenesulfonamide;hydrochloride

C21H29ClN2O2S — CID 69421630

IUPACN-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-N,3-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1cccc(S(=O)(=O)N(C)[C@H]2CC[C@@H](N(C)Cc3ccccc3)C2)c1.Cl
InChIInChI=1S/C21H28N2O2S.ClH/c1-17-8-7-11-21(14-17)26(24,25)23(3)20-13-12-19(15-20)22(2)16-18-9-5-4-6-10-18;/h4-11,14,19-20H,12-13,15-16H2,1-3H3;1H/t19-,20+;/m1./s1
InChIKeyJFYHZZGIRSHNIC-FDOHDBATSA-N
MW409.00 g/mol
LogP4.09
Rot. Bonds6

About N-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-N,3-dimethylbenzenesulfonamide;hydrochloride

N-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-N,3-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 69421630) has the molecular formula C21H29ClN2O2S and a molecular weight of 409.00 g/mol. Its IUPAC name is N-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-N,3-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-N,3-dimethylbenzenesulfonamide;hydrochloride
PubChem CID69421630
Molecular FormulaC21H29ClN2O2S
Molecular Weight409.00 g/mol
Exact Mass408.16
IUPAC NameN-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-N,3-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1cccc(S(=O)(=O)N(C)[C@H]2CC[C@@H](N(C)Cc3ccccc3)C2)c1.Cl
InChIInChI=1S/C21H28N2O2S.ClH/c1-17-8-7-11-21(14-17)26(24,25)23(3)20-13-12-19(15-20)22(2)16-18-9-5-4-6-10-18;/h4-11,14,19-20H,12-13,15-16H2,1-3H3;1H/t19-,20+;/m1./s1
InChIKeyJFYHZZGIRSHNIC-FDOHDBATSA-N
XLogP4.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.00
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-N,3-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-N,3-dimethylbenzenesulfonamide;hydrochloride (CID 69421630) is N-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-N,3-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-N,3-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-N,3-dimethylbenzenesulfonamide;hydrochloride is Cc1cccc(S(=O)(=O)N(C)[C@H]2CC[C@@H](N(C)Cc3ccccc3)C2)c1.Cl.
What is the InChIKey of N-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-N,3-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is JFYHZZGIRSHNIC-FDOHDBATSA-N. The full InChI is InChI=1S/C21H28N2O2S.ClH/c1-17-8-7-11-21(14-17)26(24,25)23(3)20-13-12-19(15-20)22(2)16-18-9-5-4-6-10-18;/h4-11,14,19-20H,12-13,15-16H2,1-3H3;1H/t19-,20+;/m1./s1.
What are the key properties of N-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-N,3-dimethylbenzenesulfonamide;hydrochloride?
N-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-N,3-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 409.00 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-N,3-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 69421630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).