5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide

C14H24N2O2S2 — CID 106079469

IUPAC5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1ccc(CNC2CC2)s1
InChIInChI=1S/C14H24N2O2S2/c1-4-9-14(2,3)16-20(17,18)13-8-7-12(19-13)10-15-11-5-6-11/h7-8,11,15-16H,4-6,9-10H2,1-3H3
InChIKeyFCROWHVGEYIFBT-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.86
Rot. Bonds8

About 5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide

5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide (PubChem CID 106079469) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide
PubChem CID106079469
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1ccc(CNC2CC2)s1
InChIInChI=1S/C14H24N2O2S2/c1-4-9-14(2,3)16-20(17,18)13-8-7-12(19-13)10-15-11-5-6-11/h7-8,11,15-16H,4-6,9-10H2,1-3H3
InChIKeyFCROWHVGEYIFBT-UHFFFAOYSA-N
XLogP2.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide
CID 106091245
5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106079368
5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 106035127
5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide
CID 106079338
5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106082883
5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide
CID 106054466
5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081562
5-ethyl-N-(2,4,4-trimethylpentan-2-yl)thiophene-2-sulfonamide
CID 60530946
5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 106071328
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 82745858

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide (CID 106079469) is 5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide is CCCC(C)(C)NS(=O)(=O)c1ccc(CNC2CC2)s1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide?
The InChIKey is FCROWHVGEYIFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-4-9-14(2,3)16-20(17,18)13-8-7-12(19-13)10-15-11-5-6-11/h7-8,11,15-16H,4-6,9-10H2,1-3H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106079469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).