3-amino-N-(2-ethylsulfonylethyl)butanamide

C8H18N2O3S — CID 103810382

IUPAC3-amino-N-(2-ethylsulfonylethyl)butanamide
SMILESCCS(=O)(=O)CCNC(=O)CC(C)N
InChIInChI=1S/C8H18N2O3S/c1-3-14(12,13)5-4-10-8(11)6-7(2)9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyNWLVRVNGAGMXTG-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.73
Rot. Bonds6

About 3-amino-N-(2-ethylsulfonylethyl)butanamide

3-amino-N-(2-ethylsulfonylethyl)butanamide (PubChem CID 103810382) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-amino-N-(2-ethylsulfonylethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2-ethylsulfonylethyl)butanamide
PubChem CID103810382
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name3-amino-N-(2-ethylsulfonylethyl)butanamide
SMILESCCS(=O)(=O)CCNC(=O)CC(C)N
InChIInChI=1S/C8H18N2O3S/c1-3-14(12,13)5-4-10-8(11)6-7(2)9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyNWLVRVNGAGMXTG-UHFFFAOYSA-N
XLogP-0.73
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(2-ethylsulfonylethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride
CID 119822651
3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide
CID 103581021
3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide
CID 119778978
3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride
CID 119814314
3-amino-N-(2-methylsulfanylethyl)butanamide
CID 63957777
3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102905862
2-(ethylamino)-N-(2-ethylsulfonylethyl)acetamide
CID 103810362
2-amino-3-(3-aminobutanoylamino)propanoic acid
CID 123589303
6-amino-1-ethylsulfonylheptan-4-one
CID 116555907
3-amino-N-(2-methoxypropyl)butanamide
CID 102695030
4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide
CID 103810364
3-amino-N-(5-hydroxy-4-methylpentyl)butanamide
CID 106161336

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylsulfonylethyl)butanamide?
The IUPAC name of 3-amino-N-(2-ethylsulfonylethyl)butanamide (CID 103810382) is 3-amino-N-(2-ethylsulfonylethyl)butanamide.
What is the SMILES notation for 3-amino-N-(2-ethylsulfonylethyl)butanamide?
The canonical SMILES for 3-amino-N-(2-ethylsulfonylethyl)butanamide is CCS(=O)(=O)CCNC(=O)CC(C)N.
What is the InChIKey of 3-amino-N-(2-ethylsulfonylethyl)butanamide?
The InChIKey is NWLVRVNGAGMXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-3-14(12,13)5-4-10-8(11)6-7(2)9/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 3-amino-N-(2-ethylsulfonylethyl)butanamide?
3-amino-N-(2-ethylsulfonylethyl)butanamide has a molecular weight of 222.31 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylsulfonylethyl)butanamide is sourced from PubChem (CID 103810382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).