5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide

C15H24N2O2S2 — CID 114552184

IUPAC5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2csc(CNC3CC3)c2)C1
InChIInChI=1S/C15H24N2O2S2/c1-15(2)6-5-12(8-15)17-21(18,19)14-7-13(20-10-14)9-16-11-3-4-11/h7,10-12,16-17H,3-6,8-9H2,1-2H3
InChIKeyQWHUXPCYNZJXSD-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.86
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide

5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide (PubChem CID 114552184) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide
PubChem CID114552184
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2csc(CNC3CC3)c2)C1
InChIInChI=1S/C15H24N2O2S2/c1-15(2)6-5-12(8-15)17-21(18,19)14-7-13(20-10-14)9-16-11-3-4-11/h7,10-12,16-17H,3-6,8-9H2,1-2H3
InChIKeyQWHUXPCYNZJXSD-UHFFFAOYSA-N
XLogP2.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084390
5-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)thiophene-3-sulfonamide
CID 106064269
5-[(cyclopropylamino)methyl]-N',N'-dimethylthiophene-3-sulfonohydrazide
CID 106074767
5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide
CID 106073745
5-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide
CID 106063931
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]thiophene-3-sulfonamide
CID 106026780
N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide
CID 114545447
5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106079368
5-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106028540
5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide
CID 106072802
5-[(cyclopropylamino)methyl]-N-(3-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106050737
5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide
CID 106029625

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide (CID 114552184) is 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide is CC1(C)CCC(NS(=O)(=O)c2csc(CNC3CC3)c2)C1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide?
The InChIKey is QWHUXPCYNZJXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-15(2)6-5-12(8-15)17-21(18,19)14-7-13(20-10-14)9-16-11-3-4-11/h7,10-12,16-17H,3-6,8-9H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114552184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).