4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide

C14H23N3O2S — CID 63761192

IUPAC4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC2(CN)CCCC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-17(2)20(18,19)13-7-5-12(6-8-13)16-14(11-15)9-3-4-10-14/h5-8,16H,3-4,9-11,15H2,1-2H3
InChIKeyINSJDOKCXWWOSO-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.62
Rot. Bonds5

About 4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide

4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 63761192) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide
PubChem CID63761192
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC2(CN)CCCC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-17(2)20(18,19)13-7-5-12(6-8-13)16-14(11-15)9-3-4-10-14/h5-8,16H,3-4,9-11,15H2,1-2H3
InChIKeyINSJDOKCXWWOSO-UHFFFAOYSA-N
XLogP1.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide (CID 63761192) is 4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NC2(CN)CCCC2)cc1.
What is the InChIKey of 4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is INSJDOKCXWWOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-17(2)20(18,19)13-7-5-12(6-8-13)16-14(11-15)9-3-4-10-14/h5-8,16H,3-4,9-11,15H2,1-2H3.
What are the key properties of 4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide?
4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 63761192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).