N-(2-hydroxypropyl)-N,2-dimethylthiolane-2-carboxamide

C10H19NO2S — CID 81002413

IUPACN-(2-hydroxypropyl)-N,2-dimethylthiolane-2-carboxamide
SMILESCC(O)CN(C)C(=O)C1(C)CCCS1
InChIInChI=1S/C10H19NO2S/c1-8(12)7-11(3)9(13)10(2)5-4-6-14-10/h8,12H,4-7H2,1-3H3
InChIKeyGXZFCZPZMRJLNG-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.11
Rot. Bonds3

About N-(2-hydroxypropyl)-N,2-dimethylthiolane-2-carboxamide

N-(2-hydroxypropyl)-N,2-dimethylthiolane-2-carboxamide (PubChem CID 81002413) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N,2-dimethylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N,2-dimethylthiolane-2-carboxamide
PubChem CID81002413
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-(2-hydroxypropyl)-N,2-dimethylthiolane-2-carboxamide
SMILESCC(O)CN(C)C(=O)C1(C)CCCS1
InChIInChI=1S/C10H19NO2S/c1-8(12)7-11(3)9(13)10(2)5-4-6-14-10/h8,12H,4-7H2,1-3H3
InChIKeyGXZFCZPZMRJLNG-UHFFFAOYSA-N
XLogP1.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N,2-dimethylthiolane-2-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-N,2-dimethylthiolane-2-carboxamide (CID 81002413) is N-(2-hydroxypropyl)-N,2-dimethylthiolane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N,2-dimethylthiolane-2-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N,2-dimethylthiolane-2-carboxamide is CC(O)CN(C)C(=O)C1(C)CCCS1.
What is the InChIKey of N-(2-hydroxypropyl)-N,2-dimethylthiolane-2-carboxamide?
The InChIKey is GXZFCZPZMRJLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8(12)7-11(3)9(13)10(2)5-4-6-14-10/h8,12H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxypropyl)-N,2-dimethylthiolane-2-carboxamide?
N-(2-hydroxypropyl)-N,2-dimethylthiolane-2-carboxamide has a molecular weight of 217.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N,2-dimethylthiolane-2-carboxamide is sourced from PubChem (CID 81002413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).