1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone

C14H22N2O3S2 — CID 103420656

IUPAC1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone
SMILESCC(=O)c1sc(N2CCCCCCC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C14H22N2O3S2/c1-10(17)12-11(15)13(21(2,18)19)14(20-12)16-8-6-4-3-5-7-9-16/h3-9,15H2,1-2H3
InChIKeyHKLBEIXOGSCQJS-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.71
Rot. Bonds3

About 1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone

1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone (PubChem CID 103420656) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone
PubChem CID103420656
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone
SMILESCC(=O)c1sc(N2CCCCCCC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C14H22N2O3S2/c1-10(17)12-11(15)13(21(2,18)19)14(20-12)16-8-6-4-3-5-7-9-16/h3-9,15H2,1-2H3
InChIKeyHKLBEIXOGSCQJS-UHFFFAOYSA-N
XLogP2.71
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419875
1-(3-amino-4-methylsulfonyl-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103419876
5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide
CID 103419870
3-amino-4-ethylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419848
3-amino-N-methyl-4-methylsulfonyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
CID 103421762
1-[3-amino-5-(4-aminopiperidin-1-yl)-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103525607
methyl 3-amino-5-(4-aminopiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxylate
CID 103525627
3-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-4-methylsulfonylthiophene-2-carboxamide
CID 103418327
3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103419467
1-[3-amino-4-methylsulfanyl-5-(1,4-thiazepan-4-yl)thiophen-2-yl]ethanone
CID 103418048
1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone
CID 103422782
3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103418523

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone (CID 103420656) is 1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone is CC(=O)c1sc(N2CCCCCCC2)c(S(C)(=O)=O)c1N.
What is the InChIKey of 1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone?
The InChIKey is HKLBEIXOGSCQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-10(17)12-11(15)13(21(2,18)19)14(20-12)16-8-6-4-3-5-7-9-16/h3-9,15H2,1-2H3.
What are the key properties of 1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone?
1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone has a molecular weight of 330.48 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone is sourced from PubChem (CID 103420656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).