3-amino-2-methyl-N-propylsulfonylbutanamide

C8H18N2O3S — CID 103307653

IUPAC3-amino-2-methyl-N-propylsulfonylbutanamide
SMILESCCCS(=O)(=O)NC(=O)C(C)C(C)N
InChIInChI=1S/C8H18N2O3S/c1-4-5-14(12,13)10-8(11)6(2)7(3)9/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyOUBZBAJLWFQVPS-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.17
Rot. Bonds5

About 3-amino-2-methyl-N-propylsulfonylbutanamide

3-amino-2-methyl-N-propylsulfonylbutanamide (PubChem CID 103307653) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-amino-2-methyl-N-propylsulfonylbutanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-propylsulfonylbutanamide
PubChem CID103307653
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name3-amino-2-methyl-N-propylsulfonylbutanamide
SMILESCCCS(=O)(=O)NC(=O)C(C)C(C)N
InChIInChI=1S/C8H18N2O3S/c1-4-5-14(12,13)10-8(11)6(2)7(3)9/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyOUBZBAJLWFQVPS-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-propylsulfonylpropanamide
CID 103307200
3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide
CID 103581021
3-amino-2-methoxy-N-propylsulfonylpropanamide
CID 106114069
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide
CID 106337551
(2S)-2-(propylsulfonylamino)propanoic acid
CID 7130952
3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide
CID 103307056
5-amino-1-ethylsulfonyl-4-methylhexan-3-one
CID 106736924
3-methyl-2-[2-(propylsulfonylamino)propanoylamino]butanoic acid
CID 43354101
2-amino-N-[2-(ethylsulfamoyl)ethyl]propanamide
CID 103796449
N-(2-hydroxyethyl)-2-(propylsulfonylamino)propanamide
CID 43416219
(3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide
CID 103307564
2-amino-N-ethylsulfonylbutanediamide
CID 103306832

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-propylsulfonylbutanamide?
The IUPAC name of 3-amino-2-methyl-N-propylsulfonylbutanamide (CID 103307653) is 3-amino-2-methyl-N-propylsulfonylbutanamide.
What is the SMILES notation for 3-amino-2-methyl-N-propylsulfonylbutanamide?
The canonical SMILES for 3-amino-2-methyl-N-propylsulfonylbutanamide is CCCS(=O)(=O)NC(=O)C(C)C(C)N.
What is the InChIKey of 3-amino-2-methyl-N-propylsulfonylbutanamide?
The InChIKey is OUBZBAJLWFQVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-4-5-14(12,13)10-8(11)6(2)7(3)9/h6-7H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 3-amino-2-methyl-N-propylsulfonylbutanamide?
3-amino-2-methyl-N-propylsulfonylbutanamide has a molecular weight of 222.31 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-propylsulfonylbutanamide is sourced from PubChem (CID 103307653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).