N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide

C9H17NO4S — CID 43577196

IUPACN-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)N(CCO)C1CC1
InChIInChI=1S/C9H17NO4S/c1-15(13,14)7-4-9(12)10(5-6-11)8-2-3-8/h8,11H,2-7H2,1H3
InChIKeyDBXZPSVVSCVHMS-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.60
Rot. Bonds6

About N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide

N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide (PubChem CID 43577196) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide
PubChem CID43577196
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)N(CCO)C1CC1
InChIInChI=1S/C9H17NO4S/c1-15(13,14)7-4-9(12)10(5-6-11)8-2-3-8/h8,11H,2-7H2,1H3
InChIKeyDBXZPSVVSCVHMS-UHFFFAOYSA-N
XLogP-0.60
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide (CID 43577196) is N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide?
The InChIKey is DBXZPSVVSCVHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-15(13,14)7-4-9(12)10(5-6-11)8-2-3-8/h8,11H,2-7H2,1H3.
What are the key properties of N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide?
N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide has a molecular weight of 235.30 g/mol, XLogP of -0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 43577196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).