2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide

C8H17N3O4S — CID 43545601

IUPAC2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide
SMILESCC(NC(=O)C(N)CCS(C)(=O)=O)C(N)=O
InChIInChI=1S/C8H17N3O4S/c1-5(7(10)12)11-8(13)6(9)3-4-16(2,14)15/h5-6H,3-4,9H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyRKHPHSOFSJJCQS-UHFFFAOYSA-N
MW251.31 g/mol
LogP-2.26
Rot. Bonds6

About 2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide

2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide (PubChem CID 43545601) has the molecular formula C8H17N3O4S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide
PubChem CID43545601
Molecular FormulaC8H17N3O4S
Molecular Weight251.31 g/mol
Exact Mass251.09
IUPAC Name2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide
SMILESCC(NC(=O)C(N)CCS(C)(=O)=O)C(N)=O
InChIInChI=1S/C8H17N3O4S/c1-5(7(10)12)11-8(13)6(9)3-4-16(2,14)15/h5-6H,3-4,9H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyRKHPHSOFSJJCQS-UHFFFAOYSA-N
XLogP-2.26
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-2.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide
CID 43649626
2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide
CID 83178040
2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide
CID 113288250
2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide
CID 54950405
2-amino-4-methylsulfonyl-N-pent-4-yn-2-ylbutanamide
CID 115976489
2-[(2-amino-4-methylsulfonylbutanoyl)amino]-4-methylpentanoic acid
CID 61158997
(2S)-2,6-diamino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]hexanamide
CID 25142509
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide
CID 43098583
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
3-amino-4-[(1-amino-1-oxopropan-2-yl)amino]-4-oxobutanoic acid;hydrate
CID 21447998
2-amino-N-butyl-4-methylsulfonylbutanamide
CID 24690618
2-[(2-amino-4-methylsulfonylbutanoyl)amino]pentanoic acid
CID 61161610

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide (CID 43545601) is 2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide is CC(NC(=O)C(N)CCS(C)(=O)=O)C(N)=O.
What is the InChIKey of 2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide?
The InChIKey is RKHPHSOFSJJCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S/c1-5(7(10)12)11-8(13)6(9)3-4-16(2,14)15/h5-6H,3-4,9H2,1-2H3,(H2,10,12)(H,11,13).
What are the key properties of 2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide?
2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide has a molecular weight of 251.31 g/mol, XLogP of -2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 43545601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).