N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]pyrrolidine-1-carboxamide

C10H20N2O2S — CID 141217381

IUPACN-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]pyrrolidine-1-carboxamide
SMILESCSCC[C@@H](CO)NC(=O)N1CCCC1
InChIInChI=1S/C10H20N2O2S/c1-15-7-4-9(8-13)11-10(14)12-5-2-3-6-12/h9,13H,2-8H2,1H3,(H,11,14)/t9-/m0/s1
InChIKeyLUGBOPNREWHGKU-VIFPVBQESA-N
MW232.35 g/mol
LogP0.91
Rot. Bonds5

About N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]pyrrolidine-1-carboxamide

N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 141217381) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]pyrrolidine-1-carboxamide
PubChem CID141217381
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]pyrrolidine-1-carboxamide
SMILESCSCC[C@@H](CO)NC(=O)N1CCCC1
InChIInChI=1S/C10H20N2O2S/c1-15-7-4-9(8-13)11-10(14)12-5-2-3-6-12/h9,13H,2-8H2,1H3,(H,11,14)/t9-/m0/s1
InChIKeyLUGBOPNREWHGKU-VIFPVBQESA-N
XLogP0.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]pyrrolidine-1-carboxamide (CID 141217381) is N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]pyrrolidine-1-carboxamide is CSCC[C@@H](CO)NC(=O)N1CCCC1.
What is the InChIKey of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is LUGBOPNREWHGKU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-15-7-4-9(8-13)11-10(14)12-5-2-3-6-12/h9,13H,2-8H2,1H3,(H,11,14)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]pyrrolidine-1-carboxamide?
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 232.35 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 141217381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).