5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide

C15H26N2O2S2 — CID 106054466

IUPAC5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide
SMILESCCCC1CCC(NS(=O)(=O)c2ccc(CNC)s2)CC1
InChIInChI=1S/C15H26N2O2S2/c1-3-4-12-5-7-13(8-6-12)17-21(18,19)15-10-9-14(20-15)11-16-2/h9-10,12-13,16-17H,3-8,11H2,1-2H3
InChIKeyYLPDVNMBPRWWML-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.10
Rot. Bonds7

About 5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide

5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide (PubChem CID 106054466) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide
PubChem CID106054466
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide
SMILESCCCC1CCC(NS(=O)(=O)c2ccc(CNC)s2)CC1
InChIInChI=1S/C15H26N2O2S2/c1-3-4-12-5-7-13(8-6-12)17-21(18,19)15-10-9-14(20-15)11-16-2/h9-10,12-13,16-17H,3-8,11H2,1-2H3
InChIKeyYLPDVNMBPRWWML-UHFFFAOYSA-N
XLogP3.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylaminomethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551883
5-cyano-N-(4-propylcyclohexyl)thiophene-2-sulfonamide
CID 106267728
5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 106072321
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065205
N-(2,3-dihydro-1H-inden-2-yl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087833
4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 61454626
N-(2,2-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106071372
5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092837
2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide
CID 62156688
5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
CID 106089015
5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106025620

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide (CID 106054466) is 5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide is CCCC1CCC(NS(=O)(=O)c2ccc(CNC)s2)CC1.
What is the InChIKey of 5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide?
The InChIKey is YLPDVNMBPRWWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-3-4-12-5-7-13(8-6-12)17-21(18,19)15-10-9-14(20-15)11-16-2/h9-10,12-13,16-17H,3-8,11H2,1-2H3.
What are the key properties of 5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide?
5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106054466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).