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

C10H22N2O3S — CID 81189441

IUPAC2-(2-aminopropylsulfonyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CS(=O)(=O)CC(C)N
InChIInChI=1S/C10H22N2O3S/c1-4-9(5-2)12-10(13)7-16(14,15)6-8(3)11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyZANBPJRKYMAMSC-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.05
Rot. Bonds7

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

2-(2-aminopropylsulfonyl)-N-pentan-3-ylacetamide (PubChem CID 81189441) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(2-aminopropylsulfonyl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(2-aminopropylsulfonyl)-N-pentan-3-ylacetamide
PubChem CID81189441
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-(2-aminopropylsulfonyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CS(=O)(=O)CC(C)N
InChIInChI=1S/C10H22N2O3S/c1-4-9(5-2)12-10(13)7-16(14,15)6-8(3)11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyZANBPJRKYMAMSC-UHFFFAOYSA-N
XLogP0.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide
CID 81194128
2-(2-aminopropylsulfonyl)-N-propan-2-ylacetamide
CID 81189323
5-amino-N-pentan-3-ylhexanamide
CID 82848944
2-(2-aminopropylsulfonyl)-N-(2-cyanoethyl)acetamide
CID 81190030
2-[[2-(2-methylpropylsulfonyl)acetyl]amino]butanoic acid
CID 119223785
N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide
CID 120505963
(2S)-2-amino-N-pentan-3-ylpropanamide
CID 14333664
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
(2R)-2-acetamido-3-[2-(butan-2-ylamino)-2-oxoethyl]sulfonylpropanoic acid
CID 107774946
2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide
CID 17309471
(2S)-4-methyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]pentanoic acid
CID 119361439

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfonyl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(2-aminopropylsulfonyl)-N-pentan-3-ylacetamide (CID 81189441) is 2-(2-aminopropylsulfonyl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(2-aminopropylsulfonyl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(2-aminopropylsulfonyl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CS(=O)(=O)CC(C)N.
What is the InChIKey of 2-(2-aminopropylsulfonyl)-N-pentan-3-ylacetamide?
The InChIKey is ZANBPJRKYMAMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-4-9(5-2)12-10(13)7-16(14,15)6-8(3)11/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 2-(2-aminopropylsulfonyl)-N-pentan-3-ylacetamide?
2-(2-aminopropylsulfonyl)-N-pentan-3-ylacetamide has a molecular weight of 250.36 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfonyl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 81189441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).