2-amino-N-propan-2-ylsulfonylpentanamide

C8H18N2O3S — CID 86093557

IUPAC2-amino-N-propan-2-ylsulfonylpentanamide
SMILESCCCC(N)C(=O)NS(=O)(=O)C(C)C
InChIInChI=1S/C8H18N2O3S/c1-4-5-7(9)8(11)10-14(12,13)6(2)3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyJXAKVVRJOJVQJO-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.03
Rot. Bonds5

About 2-amino-N-propan-2-ylsulfonylpentanamide

2-amino-N-propan-2-ylsulfonylpentanamide (PubChem CID 86093557) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-amino-N-propan-2-ylsulfonylpentanamide.

Molecular Properties

Compound Name2-amino-N-propan-2-ylsulfonylpentanamide
PubChem CID86093557
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name2-amino-N-propan-2-ylsulfonylpentanamide
SMILESCCCC(N)C(=O)NS(=O)(=O)C(C)C
InChIInChI=1S/C8H18N2O3S/c1-4-5-7(9)8(11)10-14(12,13)6(2)3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyJXAKVVRJOJVQJO-UHFFFAOYSA-N
XLogP-0.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-ethylsulfonylpropan-2-yl)pentanamide
CID 119325448
2-amino-N-propylpentanamide
CID 43649977
(2R)-2-amino-3,3-dimethyl-N-propan-2-ylsulfonylbutanamide
CID 103307829
2-amino-N-(3-methylbutan-2-yl)pentanamide
CID 43650228
2-amino-N'-methylpentanehydrazide
CID 116849316
(2R)-2-amino-N-carbamoylpentanamide
CID 107570048
2-amino-N-[2-(propan-2-ylsulfamoyl)ethyl]pentanamide
CID 119309225
(2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 103813236
2-amino-N-ethoxypentanamide
CID 64974803
(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333
(2R)-2-amino-N-butylpentanamide
CID 82668431
(2R)-2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]pentanamide
CID 103795688

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propan-2-ylsulfonylpentanamide?
The IUPAC name of 2-amino-N-propan-2-ylsulfonylpentanamide (CID 86093557) is 2-amino-N-propan-2-ylsulfonylpentanamide.
What is the SMILES notation for 2-amino-N-propan-2-ylsulfonylpentanamide?
The canonical SMILES for 2-amino-N-propan-2-ylsulfonylpentanamide is CCCC(N)C(=O)NS(=O)(=O)C(C)C.
What is the InChIKey of 2-amino-N-propan-2-ylsulfonylpentanamide?
The InChIKey is JXAKVVRJOJVQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-4-5-7(9)8(11)10-14(12,13)6(2)3/h6-7H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 2-amino-N-propan-2-ylsulfonylpentanamide?
2-amino-N-propan-2-ylsulfonylpentanamide has a molecular weight of 222.31 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propan-2-ylsulfonylpentanamide is sourced from PubChem (CID 86093557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).