N-(2-amino-3-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide

C9H20N2O4S — CID 64539964

IUPACN-(2-amino-3-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(O)C(N)CNC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-6(12)7(10)5-11-8(13)9(2,3)16(4,14)15/h6-7,12H,5,10H2,1-4H3,(H,11,13)
InChIKeyKZCVPCSUABKUDA-UHFFFAOYSA-N
MW252.34 g/mol
LogP-1.37
Rot. Bonds5

About N-(2-amino-3-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide

N-(2-amino-3-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide (PubChem CID 64539964) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide
PubChem CID64539964
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC NameN-(2-amino-3-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(O)C(N)CNC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-6(12)7(10)5-11-8(13)9(2,3)16(4,14)15/h6-7,12H,5,10H2,1-4H3,(H,11,13)
InChIKeyKZCVPCSUABKUDA-UHFFFAOYSA-N
XLogP-1.37
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methyl-3-methylsulfinylpropanamide
CID 18731968
2-amino-N-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]propanamide
CID 53765652
N-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methyl-3-methylsulfinylpropanamide
CID 59886299
(2S)-N-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methyl-3-methylsulfinylpropanamide
CID 59886324
N-[(2S)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-methyl-3-methylsulfinylpropanamide
CID 59928256
(2S)-N-[(2S,3R)-4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfonylpropanamide
CID 59936553
N-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide
CID 139727224
2-amino-N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]propanamide
CID 22081072
2-amino-N-(3-hydroxypropyl)-4-methylsulfonylbutanamide
CID 43363332
2-(ethylsulfonylamino)-N-(3-hydroxypropyl)-4-methylsulfanylbutanamide
CID 43419265
2-(ethylsulfonylamino)-N-(2-hydroxypropyl)-4-methylsulfanylbutanamide
CID 43419316
2-amino-N-(1-hydroxybutan-2-yl)-4-methylsulfonylbutanamide
CID 43500012

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide (CID 64539964) is N-(2-amino-3-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide is CC(O)C(N)CNC(=O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is KZCVPCSUABKUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-6(12)7(10)5-11-8(13)9(2,3)16(4,14)15/h6-7,12H,5,10H2,1-4H3,(H,11,13).
What are the key properties of N-(2-amino-3-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide?
N-(2-amino-3-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 252.34 g/mol, XLogP of -1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 64539964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).