1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene

C12H19N3O2S — CID 62069827

IUPAC1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1cccc(NCC2CCCC2)c1
InChIInChI=1S/C12H19N3O2S/c13-18(16,17)15-12-7-3-6-11(8-12)14-9-10-4-1-2-5-10/h3,6-8,10,14-15H,1-2,4-5,9H2,(H2,13,16,17)
InChIKeyLJTXZYUBLZFCKY-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.90
Rot. Bonds5

About 1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene

1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene (PubChem CID 62069827) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene
PubChem CID62069827
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1cccc(NCC2CCCC2)c1
InChIInChI=1S/C12H19N3O2S/c13-18(16,17)15-12-7-3-6-11(8-12)14-9-10-4-1-2-5-10/h3,6-8,10,14-15H,1-2,4-5,9H2,(H2,13,16,17)
InChIKeyLJTXZYUBLZFCKY-UHFFFAOYSA-N
XLogP1.90
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine
CID 62657531
1-(cyclopentylamino)-3-(sulfamoylamino)benzene
CID 43741971
N-(cyclooctylmethyl)-3-methylaniline
CID 114207672
N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide
CID 60729878
N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
ethyl 3-(cyclopentylmethylamino)benzoate
CID 62070865
1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376208
2-[3-(cyclohexylmethylamino)phenoxy]acetamide
CID 43720202
N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide
CID 43208091
N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline
CID 43733000
2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 112674678
1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene
CID 43741934

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene?
The IUPAC name of 1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene (CID 62069827) is 1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene.
What is the SMILES notation for 1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene?
The canonical SMILES for 1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene is NS(=O)(=O)Nc1cccc(NCC2CCCC2)c1.
What is the InChIKey of 1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene?
The InChIKey is LJTXZYUBLZFCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-18(16,17)15-12-7-3-6-11(8-12)14-9-10-4-1-2-5-10/h3,6-8,10,14-15H,1-2,4-5,9H2,(H2,13,16,17).
What are the key properties of 1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene?
1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene has a molecular weight of 269.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene is sourced from PubChem (CID 62069827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).