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

C8H18N2O4S — CID 104520725

IUPACN-(2-amino-3-hydroxybutyl)-2-methylsulfonylpropanamide
SMILESCC(O)C(N)CNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C8H18N2O4S/c1-5(11)7(9)4-10-8(12)6(2)15(3,13)14/h5-7,11H,4,9H2,1-3H3,(H,10,12)
InChIKeyBHVLAKYMSGHWKE-UHFFFAOYSA-N
MW238.31 g/mol
LogP-1.76
Rot. Bonds5

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

N-(2-amino-3-hydroxybutyl)-2-methylsulfonylpropanamide (PubChem CID 104520725) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-2-methylsulfonylpropanamide
PubChem CID104520725
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC NameN-(2-amino-3-hydroxybutyl)-2-methylsulfonylpropanamide
SMILESCC(O)C(N)CNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C8H18N2O4S/c1-5(11)7(9)4-10-8(12)6(2)15(3,13)14/h5-7,11H,4,9H2,1-3H3,(H,10,12)
InChIKeyBHVLAKYMSGHWKE-UHFFFAOYSA-N
XLogP-1.76
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-2-methylsulfonylpropanamide (CID 104520725) is N-(2-amino-3-hydroxybutyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-2-methylsulfonylpropanamide is CC(O)C(N)CNC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-2-methylsulfonylpropanamide?
The InChIKey is BHVLAKYMSGHWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-5(11)7(9)4-10-8(12)6(2)15(3,13)14/h5-7,11H,4,9H2,1-3H3,(H,10,12).
What are the key properties of N-(2-amino-3-hydroxybutyl)-2-methylsulfonylpropanamide?
N-(2-amino-3-hydroxybutyl)-2-methylsulfonylpropanamide has a molecular weight of 238.31 g/mol, XLogP of -1.76, 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-methylsulfonylpropanamide is sourced from PubChem (CID 104520725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).