N-(2-hydroxyethyl)-N-(2-methylpropyl)-4-sulfanylpyrrolidine-2-carboxamide

C11H22N2O2S — CID 19376225

IUPACN-(2-hydroxyethyl)-N-(2-methylpropyl)-4-sulfanylpyrrolidine-2-carboxamide
SMILESCC(C)CN(CCO)C(=O)C1CC(S)CN1
InChIInChI=1S/C11H22N2O2S/c1-8(2)7-13(3-4-14)11(15)10-5-9(16)6-12-10/h8-10,12,14,16H,3-7H2,1-2H3
InChIKeyDLZCOYYPEQUTKW-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.12
Rot. Bonds5

About N-(2-hydroxyethyl)-N-(2-methylpropyl)-4-sulfanylpyrrolidine-2-carboxamide

N-(2-hydroxyethyl)-N-(2-methylpropyl)-4-sulfanylpyrrolidine-2-carboxamide (PubChem CID 19376225) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-methylpropyl)-4-sulfanylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-methylpropyl)-4-sulfanylpyrrolidine-2-carboxamide
PubChem CID19376225
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(2-hydroxyethyl)-N-(2-methylpropyl)-4-sulfanylpyrrolidine-2-carboxamide
SMILESCC(C)CN(CCO)C(=O)C1CC(S)CN1
InChIInChI=1S/C11H22N2O2S/c1-8(2)7-13(3-4-14)11(15)10-5-9(16)6-12-10/h8-10,12,14,16H,3-7H2,1-2H3
InChIKeyDLZCOYYPEQUTKW-UHFFFAOYSA-N
XLogP0.12
TPSA52.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-methylpropyl)-4-sulfanylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-methylpropyl)-4-sulfanylpyrrolidine-2-carboxamide (CID 19376225) is N-(2-hydroxyethyl)-N-(2-methylpropyl)-4-sulfanylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-methylpropyl)-4-sulfanylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-methylpropyl)-4-sulfanylpyrrolidine-2-carboxamide is CC(C)CN(CCO)C(=O)C1CC(S)CN1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-methylpropyl)-4-sulfanylpyrrolidine-2-carboxamide?
The InChIKey is DLZCOYYPEQUTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-8(2)7-13(3-4-14)11(15)10-5-9(16)6-12-10/h8-10,12,14,16H,3-7H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2-methylpropyl)-4-sulfanylpyrrolidine-2-carboxamide?
N-(2-hydroxyethyl)-N-(2-methylpropyl)-4-sulfanylpyrrolidine-2-carboxamide has a molecular weight of 246.38 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-methylpropyl)-4-sulfanylpyrrolidine-2-carboxamide is sourced from PubChem (CID 19376225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).