[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide

C12H24N2O3S — CID 96515238

IUPAC[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide
SMILESCCC(CC)C(=O)N1CCC[C@H](CS(N)(=O)=O)C1
InChIInChI=1S/C12H24N2O3S/c1-3-11(4-2)12(15)14-7-5-6-10(8-14)9-18(13,16)17/h10-11H,3-9H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
InChIKeyHQSHRWSJNSEMMT-JTQLQIEISA-N
MW276.40 g/mol
LogP0.95
Rot. Bonds5

About [(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide

[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide (PubChem CID 96515238) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is [(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide
PubChem CID96515238
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide
SMILESCCC(CC)C(=O)N1CCC[C@H](CS(N)(=O)=O)C1
InChIInChI=1S/C12H24N2O3S/c1-3-11(4-2)12(15)14-7-5-6-10(8-14)9-18(13,16)17/h10-11H,3-9H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
InChIKeyHQSHRWSJNSEMMT-JTQLQIEISA-N
XLogP0.95
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide 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

2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid
CID 55105089
[1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide
CID 56786895
2-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]acetic acid
CID 65228465
2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43422444
[1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide
CID 102602947
[1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide
CID 71994818
2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 62371308
1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041256
2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one
CID 62372858
2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
CID 43584547
N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide
CID 65227685
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of [(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide (CID 96515238) is [(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for [(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for [(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide is CCC(CC)C(=O)N1CCC[C@H](CS(N)(=O)=O)C1.
What is the InChIKey of [(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is HQSHRWSJNSEMMT-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-3-11(4-2)12(15)14-7-5-6-10(8-14)9-18(13,16)17/h10-11H,3-9H2,1-2H3,(H2,13,16,17)/t10-/m0/s1.
What are the key properties of [(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide?
[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 96515238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).