2-amino-N-ethylsulfonylbutanediamide

C6H13N3O4S — CID 103306832

IUPAC2-amino-N-ethylsulfonylbutanediamide
SMILESCCS(=O)(=O)NC(=O)C(N)CC(N)=O
InChIInChI=1S/C6H13N3O4S/c1-2-14(12,13)9-6(11)4(7)3-5(8)10/h4H,2-3,7H2,1H3,(H2,8,10)(H,9,11)
InChIKeyCFHDHDMVHRGRJJ-UHFFFAOYSA-N
MW223.25 g/mol
LogP-2.35
Rot. Bonds5

About 2-amino-N-ethylsulfonylbutanediamide

2-amino-N-ethylsulfonylbutanediamide (PubChem CID 103306832) has the molecular formula C6H13N3O4S and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-amino-N-ethylsulfonylbutanediamide.

Molecular Properties

Compound Name2-amino-N-ethylsulfonylbutanediamide
PubChem CID103306832
Molecular FormulaC6H13N3O4S
Molecular Weight223.25 g/mol
Exact Mass223.06
IUPAC Name2-amino-N-ethylsulfonylbutanediamide
SMILESCCS(=O)(=O)NC(=O)C(N)CC(N)=O
InChIInChI=1S/C6H13N3O4S/c1-2-14(12,13)9-6(11)4(7)3-5(8)10/h4H,2-3,7H2,1H3,(H2,8,10)(H,9,11)
InChIKeyCFHDHDMVHRGRJJ-UHFFFAOYSA-N
XLogP-2.35
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-2.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-amino-4-oxohexanamide
CID 139478456
2-amino-N-carbamoylbutanediamide
CID 79194218
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]butanoic acid
CID 65224539
2-amino-N-(2-methylbutan-2-yl)butanediamide
CID 60849148
2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid
CID 18218968
2-amino-N-(2-methylbutyl)butanediamide
CID 62692665
2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
CID 61161394
2-amino-N-(3-hydroxybutyl)butanediamide
CID 64912890
2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide
CID 60851728
(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride
CID 135331136
bis(2,4-diamino-4-oxobutanoic acid);palladium
CID 3531876
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224533

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethylsulfonylbutanediamide?
The IUPAC name of 2-amino-N-ethylsulfonylbutanediamide (CID 103306832) is 2-amino-N-ethylsulfonylbutanediamide.
What is the SMILES notation for 2-amino-N-ethylsulfonylbutanediamide?
The canonical SMILES for 2-amino-N-ethylsulfonylbutanediamide is CCS(=O)(=O)NC(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-ethylsulfonylbutanediamide?
The InChIKey is CFHDHDMVHRGRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O4S/c1-2-14(12,13)9-6(11)4(7)3-5(8)10/h4H,2-3,7H2,1H3,(H2,8,10)(H,9,11).
What are the key properties of 2-amino-N-ethylsulfonylbutanediamide?
2-amino-N-ethylsulfonylbutanediamide has a molecular weight of 223.25 g/mol, XLogP of -2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethylsulfonylbutanediamide is sourced from PubChem (CID 103306832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).