N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide

C15H26N2O3S — CID 114541502

IUPACN-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NC2CCC(C)(C)C2)o1
InChIInChI=1S/C15H26N2O3S/c1-11(2)16-10-13-5-6-14(20-13)21(18,19)17-12-7-8-15(3,4)9-12/h5-6,11-12,16-17H,7-10H2,1-4H3
InChIKeyWYOQCPBTBXVSFC-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.63
Rot. Bonds6

About N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide

N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide (PubChem CID 114541502) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
PubChem CID114541502
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NC2CCC(C)(C)C2)o1
InChIInChI=1S/C15H26N2O3S/c1-11(2)16-10-13-5-6-14(20-13)21(18,19)17-12-7-8-15(3,4)9-12/h5-6,11-12,16-17H,7-10H2,1-4H3
InChIKeyWYOQCPBTBXVSFC-UHFFFAOYSA-N
XLogP2.63
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 83024047
N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 102701241
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methyl]propan-2-amine
CID 115562686
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114552097
5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide
CID 82940349
N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 107402616
5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide
CID 81384910
5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide
CID 106088603
2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 114264422
N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide
CID 114552223
5-chloro-N-(3,3-dimethylcyclopentyl)thiophene-2-sulfonamide
CID 115881167
N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 114548187

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide (CID 114541502) is N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide is CC(C)NCc1ccc(S(=O)(=O)NC2CCC(C)(C)C2)o1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
The InChIKey is WYOQCPBTBXVSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-11(2)16-10-13-5-6-14(20-13)21(18,19)17-12-7-8-15(3,4)9-12/h5-6,11-12,16-17H,7-10H2,1-4H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide is sourced from PubChem (CID 114541502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).