2-amino-N-(3-hydroxypropyl)-4-methylsulfonylbutanamide

C8H18N2O4S — CID 43363332

IUPAC2-amino-N-(3-hydroxypropyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCCCO
InChIInChI=1S/C8H18N2O4S/c1-15(13,14)6-3-7(9)8(12)10-4-2-5-11/h7,11H,2-6,9H2,1H3,(H,10,12)
InChIKeyCWEPALFIXWHORX-UHFFFAOYSA-N
MW238.31 g/mol
LogP-1.75
Rot. Bonds7

About 2-amino-N-(3-hydroxypropyl)-4-methylsulfonylbutanamide

2-amino-N-(3-hydroxypropyl)-4-methylsulfonylbutanamide (PubChem CID 43363332) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxypropyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxypropyl)-4-methylsulfonylbutanamide
PubChem CID43363332
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name2-amino-N-(3-hydroxypropyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCCCO
InChIInChI=1S/C8H18N2O4S/c1-15(13,14)6-3-7(9)8(12)10-4-2-5-11/h7,11H,2-6,9H2,1H3,(H,10,12)
InChIKeyCWEPALFIXWHORX-UHFFFAOYSA-N
XLogP-1.75
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxypropyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(3-hydroxypropyl)-4-methylsulfonylbutanamide (CID 43363332) is 2-amino-N-(3-hydroxypropyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(3-hydroxypropyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(3-hydroxypropyl)-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)NCCCO.
What is the InChIKey of 2-amino-N-(3-hydroxypropyl)-4-methylsulfonylbutanamide?
The InChIKey is CWEPALFIXWHORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-15(13,14)6-3-7(9)8(12)10-4-2-5-11/h7,11H,2-6,9H2,1H3,(H,10,12).
What are the key properties of 2-amino-N-(3-hydroxypropyl)-4-methylsulfonylbutanamide?
2-amino-N-(3-hydroxypropyl)-4-methylsulfonylbutanamide has a molecular weight of 238.31 g/mol, XLogP of -1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxypropyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 43363332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).