N-[(1-aminocycloheptyl)methyl]furan-2-sulfonamide

C12H20N2O3S — CID 120875673

IUPACN-[(1-aminocycloheptyl)methyl]furan-2-sulfonamide
SMILESNC1(CNS(=O)(=O)c2ccco2)CCCCCC1
InChIInChI=1S/C12H20N2O3S/c13-12(7-3-1-2-4-8-12)10-14-18(15,16)11-6-5-9-17-11/h5-6,9,14H,1-4,7-8,10,13H2
InChIKeyAUTWRYNONTWCKG-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.61
Rot. Bonds4

About N-[(1-aminocycloheptyl)methyl]furan-2-sulfonamide

N-[(1-aminocycloheptyl)methyl]furan-2-sulfonamide (PubChem CID 120875673) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]furan-2-sulfonamide
PubChem CID120875673
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-[(1-aminocycloheptyl)methyl]furan-2-sulfonamide
SMILESNC1(CNS(=O)(=O)c2ccco2)CCCCCC1
InChIInChI=1S/C12H20N2O3S/c13-12(7-3-1-2-4-8-12)10-14-18(15,16)11-6-5-9-17-11/h5-6,9,14H,1-4,7-8,10,13H2
InChIKeyAUTWRYNONTWCKG-UHFFFAOYSA-N
XLogP1.61
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]furan-2-sulfonamide
CID 18999495
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]furan-2-sulfonamide
CID 136534230
N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119998536
N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119958872
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
N-[(1-aminocyclohexyl)methyl]furan-2-carboxamide
CID 119404531
N-[(1-aminocyclohexyl)methyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119958904
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396
N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 119958876
N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 43598256
N-[(1-aminocyclohexyl)methyl]-4-cyanobenzenesulfonamide
CID 43598191
N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 43598226

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]furan-2-sulfonamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]furan-2-sulfonamide (CID 120875673) is N-[(1-aminocycloheptyl)methyl]furan-2-sulfonamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]furan-2-sulfonamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]furan-2-sulfonamide is NC1(CNS(=O)(=O)c2ccco2)CCCCCC1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]furan-2-sulfonamide?
The InChIKey is AUTWRYNONTWCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c13-12(7-3-1-2-4-8-12)10-14-18(15,16)11-6-5-9-17-11/h5-6,9,14H,1-4,7-8,10,13H2.
What are the key properties of N-[(1-aminocycloheptyl)methyl]furan-2-sulfonamide?
N-[(1-aminocycloheptyl)methyl]furan-2-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]furan-2-sulfonamide is sourced from PubChem (CID 120875673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).