2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide

C10H20N2O4S — CID 43579604

IUPAC2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)N(CCO)C1CC1
InChIInChI=1S/C10H20N2O4S/c1-17(15,16)7-4-9(11)10(14)12(5-6-13)8-2-3-8/h8-9,13H,2-7,11H2,1H3
InChIKeyLKMULHKIGGEXRN-UHFFFAOYSA-N
MW264.35 g/mol
LogP-1.27
Rot. Bonds7

About 2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide

2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide (PubChem CID 43579604) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide
PubChem CID43579604
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)N(CCO)C1CC1
InChIInChI=1S/C10H20N2O4S/c1-17(15,16)7-4-9(11)10(14)12(5-6-13)8-2-3-8/h8-9,13H,2-7,11H2,1H3
InChIKeyLKMULHKIGGEXRN-UHFFFAOYSA-N
XLogP-1.27
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide (CID 43579604) is 2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)N(CCO)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide?
The InChIKey is LKMULHKIGGEXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-17(15,16)7-4-9(11)10(14)12(5-6-13)8-2-3-8/h8-9,13H,2-7,11H2,1H3.
What are the key properties of 2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide?
2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide has a molecular weight of 264.35 g/mol, XLogP of -1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 43579604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).