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

C9H17NO2S — CID 43577029

IUPACN-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(CCO)C1CC1
InChIInChI=1S/C9H17NO2S/c1-13-7-4-9(12)10(5-6-11)8-2-3-8/h8,11H,2-7H2,1H3
InChIKeyNKGVDQGQYULGHB-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.72
Rot. Bonds6

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

N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide (PubChem CID 43577029) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
PubChem CID43577029
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(CCO)C1CC1
InChIInChI=1S/C9H17NO2S/c1-13-7-4-9(12)10(5-6-11)8-2-3-8/h8,11H,2-7H2,1H3
InChIKeyNKGVDQGQYULGHB-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide (CID 43577029) is N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide is CSCCC(=O)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The InChIKey is NKGVDQGQYULGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-13-7-4-9(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-methylsulfanylpropanamide?
N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide has a molecular weight of 203.31 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 43577029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).