4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one

C11H17NO3S2 — CID 116551988

IUPAC4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one
SMILESCS(=O)(=O)CCC(N)C(=O)CCc1cccs1
InChIInChI=1S/C11H17NO3S2/c1-17(14,15)8-6-10(12)11(13)5-4-9-3-2-7-16-9/h2-3,7,10H,4-6,8,12H2,1H3
InChIKeyNVVSAJRWQBHVCK-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.01
Rot. Bonds7

About 4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one

4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one (PubChem CID 116551988) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one.

Molecular Properties

Compound Name4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one
PubChem CID116551988
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC Name4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one
SMILESCS(=O)(=O)CCC(N)C(=O)CCc1cccs1
InChIInChI=1S/C11H17NO3S2/c1-17(14,15)8-6-10(12)11(13)5-4-9-3-2-7-16-9/h2-3,7,10H,4-6,8,12H2,1H3
InChIKeyNVVSAJRWQBHVCK-UHFFFAOYSA-N
XLogP1.01
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-amino-1-thiophen-2-ylnonan-4-one
CID 15298316
1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine
CID 115618327
7-amino-1-thiophen-2-yloctan-3-one
CID 116610138
4-methoxy-1-thiophen-2-ylhexan-3-one
CID 116707110
4-ethoxy-1-thiophen-2-ylheptan-3-one
CID 116707732
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494506
(1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine
CID 105290949
5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol
CID 63192447
2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine
CID 81187038
(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 104983787
5-methyl-1-thiophen-2-ylhexan-3-one
CID 63776280
3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 131909908

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one?
The IUPAC name of 4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one (CID 116551988) is 4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one.
What is the SMILES notation for 4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one?
The canonical SMILES for 4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one is CS(=O)(=O)CCC(N)C(=O)CCc1cccs1.
What is the InChIKey of 4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one?
The InChIKey is NVVSAJRWQBHVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-17(14,15)8-6-10(12)11(13)5-4-9-3-2-7-16-9/h2-3,7,10H,4-6,8,12H2,1H3.
What are the key properties of 4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one?
4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one has a molecular weight of 275.39 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one is sourced from PubChem (CID 116551988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).