5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide

C14H24N2O2S2 — CID 64734291

IUPAC5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide
SMILESCC1CC(C)CC(NS(=O)(=O)c2ccc(CCN)s2)C1
InChIInChI=1S/C14H24N2O2S2/c1-10-7-11(2)9-12(8-10)16-20(17,18)14-4-3-13(19-14)5-6-15/h3-4,10-12,16H,5-9,15H2,1-2H3
InChIKeyVOWVLRDBYHKLTF-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.35
Rot. Bonds5

About 5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide

5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide (PubChem CID 64734291) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide
PubChem CID64734291
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide
SMILESCC1CC(C)CC(NS(=O)(=O)c2ccc(CCN)s2)C1
InChIInChI=1S/C14H24N2O2S2/c1-10-7-11(2)9-12(8-10)16-20(17,18)14-4-3-13(19-14)5-6-15/h3-4,10-12,16H,5-9,15H2,1-2H3
InChIKeyVOWVLRDBYHKLTF-UHFFFAOYSA-N
XLogP2.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 113467124
5-(2-aminoethyl)-N-(2-methoxycyclopentyl)thiophene-2-sulfonamide
CID 55033280
5-(methylaminomethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551883
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 43610440
5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106025620
5-(2-aminoethyl)-N-phenylthiophene-2-sulfonamide
CID 43520785
5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 107601110
5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43520881
5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide
CID 43615493
5-[2-(ethylsulfonylamino)ethyl]-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120586008
5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 43520923

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide (CID 64734291) is 5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide is CC1CC(C)CC(NS(=O)(=O)c2ccc(CCN)s2)C1.
What is the InChIKey of 5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide?
The InChIKey is VOWVLRDBYHKLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-10-7-11(2)9-12(8-10)16-20(17,18)14-4-3-13(19-14)5-6-15/h3-4,10-12,16H,5-9,15H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide is sourced from PubChem (CID 64734291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).