2-amino-N-ethyl-4-methylsulfonylbutanamide

C7H16N2O3S — CID 24697380

IUPAC2-amino-N-ethyl-4-methylsulfonylbutanamide
SMILESCCNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-3-9-7(10)6(8)4-5-13(2,11)12/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyCZRRMWSGCHGPRK-UHFFFAOYSA-N
MW208.28 g/mol
LogP-1.12
Rot. Bonds5

About 2-amino-N-ethyl-4-methylsulfonylbutanamide

2-amino-N-ethyl-4-methylsulfonylbutanamide (PubChem CID 24697380) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-methylsulfonylbutanamide
PubChem CID24697380
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-amino-N-ethyl-4-methylsulfonylbutanamide
SMILESCCNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-3-9-7(10)6(8)4-5-13(2,11)12/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyCZRRMWSGCHGPRK-UHFFFAOYSA-N
XLogP-1.12
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-butyl-4-methylsulfonylbutanamide
CID 24690618
2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide
CID 54913489
methyl 2-[(2-amino-4-methylsulfonylbutanoyl)amino]acetate
CID 60914301
2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide
CID 66168706
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide
CID 43098583
(2S)-2-amino-N-ethyl-5-oxopentanamide
CID 144523819
3-[(2-amino-4-methylsulfonylbutanoyl)amino]-2,2-dimethylpropanoic acid
CID 113307979
2-[(2-amino-4-methylsulfonylbutanoyl)amino]pentanoic acid
CID 61161610
2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
CID 66091622
2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide
CID 102694855
2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide
CID 103827722
2-amino-N-(3-methylsulfinylpropyl)-4-methylsulfonylbutanamide
CID 115751066

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-ethyl-4-methylsulfonylbutanamide (CID 24697380) is 2-amino-N-ethyl-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-ethyl-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-ethyl-4-methylsulfonylbutanamide is CCNC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-ethyl-4-methylsulfonylbutanamide?
The InChIKey is CZRRMWSGCHGPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-3-9-7(10)6(8)4-5-13(2,11)12/h6H,3-5,8H2,1-2H3,(H,9,10).
What are the key properties of 2-amino-N-ethyl-4-methylsulfonylbutanamide?
2-amino-N-ethyl-4-methylsulfonylbutanamide has a molecular weight of 208.28 g/mol, XLogP of -1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-methylsulfonylbutanamide is sourced from PubChem (CID 24697380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).