2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide

C13H21N3O2S — CID 112674911

IUPAC2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide
SMILESCC1(CNc2cccc(S(N)(=O)=O)c2N)CCCC1
InChIInChI=1S/C13H21N3O2S/c1-13(7-2-3-8-13)9-16-10-5-4-6-11(12(10)14)19(15,17)18/h4-6,16H,2-3,7-9,14H2,1H3,(H2,15,17,18)
InChIKeyHNUYWGOLXMQNPO-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.91
Rot. Bonds4

About 2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide

2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide (PubChem CID 112674911) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide
PubChem CID112674911
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide
SMILESCC1(CNc2cccc(S(N)(=O)=O)c2N)CCCC1
InChIInChI=1S/C13H21N3O2S/c1-13(7-2-3-8-13)9-16-10-5-4-6-11(12(10)14)19(15,17)18/h4-6,16H,2-3,7-9,14H2,1H3,(H2,15,17,18)
InChIKeyHNUYWGOLXMQNPO-UHFFFAOYSA-N
XLogP1.91
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(1-methylcyclopropyl)methyl]-3-methylsulfonylbenzene-1,2-diamine
CID 114099168
2-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide
CID 115992904
3-[(1-methylcyclobutyl)methylamino]-2-nitrobenzenesulfonamide
CID 86790973
2-amino-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzenesulfonamide
CID 103965374
N-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline
CID 103753761
2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 112674678
2-amino-3-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 107116415
2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102903616
2-amino-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 112674920
2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide
CID 112674946
2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632
2-(2-amino-3-sulfamoylanilino)-N-methylacetamide
CID 112674675

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide?
The IUPAC name of 2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide (CID 112674911) is 2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide is CC1(CNc2cccc(S(N)(=O)=O)c2N)CCCC1.
What is the InChIKey of 2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide?
The InChIKey is HNUYWGOLXMQNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-13(7-2-3-8-13)9-16-10-5-4-6-11(12(10)14)19(15,17)18/h4-6,16H,2-3,7-9,14H2,1H3,(H2,15,17,18).
What are the key properties of 2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide?
2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 112674911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).