2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide

C11H24N2O3S — CID 81194128

IUPAC2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide
SMILESCCC(N)CS(=O)(=O)CC(=O)NC(CC)CC
InChIInChI=1S/C11H24N2O3S/c1-4-9(12)7-17(15,16)8-11(14)13-10(5-2)6-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyZFHXJDRSQCDKPX-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.44
Rot. Bonds8

About 2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide

2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide (PubChem CID 81194128) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide
PubChem CID81194128
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide
SMILESCCC(N)CS(=O)(=O)CC(=O)NC(CC)CC
InChIInChI=1S/C11H24N2O3S/c1-4-9(12)7-17(15,16)8-11(14)13-10(5-2)6-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyZFHXJDRSQCDKPX-UHFFFAOYSA-N
XLogP0.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminopropylsulfonyl)-N-pentan-3-ylacetamide
CID 81189441
2-(2-aminopropylsulfonyl)-N-propan-2-ylacetamide
CID 81189323
2-(2-aminobutylsulfonyl)-N-(2-bromophenyl)acetamide
CID 81194602
2-[[2-(2-methylpropylsulfonyl)acetyl]amino]butanoic acid
CID 119223785
N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide
CID 120505963
2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide
CID 17309471
3-hydroxy-N-pentan-3-ylpropanamide
CID 57208434
(2S)-2-amino-N-pentan-3-ylpropanamide
CID 14333664
5-amino-N-pentan-3-ylhexanamide
CID 82848944
2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylpropanoic acid
CID 64914330
2-acetamido-3-[2-(butan-2-ylamino)-2-oxoethyl]sulfonylpropanoic acid
CID 107768155
4-[2-oxo-2-(pentan-3-ylamino)ethyl]sulfonylbenzoic acid
CID 60709127

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide (CID 81194128) is 2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide is CCC(N)CS(=O)(=O)CC(=O)NC(CC)CC.
What is the InChIKey of 2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide?
The InChIKey is ZFHXJDRSQCDKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-4-9(12)7-17(15,16)8-11(14)13-10(5-2)6-3/h9-10H,4-8,12H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide?
2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide has a molecular weight of 264.39 g/mol, XLogP of 0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 81194128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).