N-[(1-oxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide

C10H18N2O2S — CID 123281455

IUPACN-[(1-oxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCC1CCS(=O)C1)N1CCCC1
InChIInChI=1S/C10H18N2O2S/c13-10(12-4-1-2-5-12)11-7-9-3-6-15(14)8-9/h9H,1-8H2,(H,11,13)
InChIKeyNWIJNTJKKREZNO-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.56
Rot. Bonds2

About N-[(1-oxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide

N-[(1-oxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 123281455) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-[(1-oxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-oxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID123281455
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-[(1-oxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCC1CCS(=O)C1)N1CCCC1
InChIInChI=1S/C10H18N2O2S/c13-10(12-4-1-2-5-12)11-7-9-3-6-15(14)8-9/h9H,1-8H2,(H,11,13)
InChIKeyNWIJNTJKKREZNO-UHFFFAOYSA-N
XLogP0.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-oxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(1-oxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide (CID 123281455) is N-[(1-oxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1-oxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1-oxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide is O=C(NCC1CCS(=O)C1)N1CCCC1.
What is the InChIKey of N-[(1-oxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is NWIJNTJKKREZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c13-10(12-4-1-2-5-12)11-7-9-3-6-15(14)8-9/h9H,1-8H2,(H,11,13).
What are the key properties of N-[(1-oxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide?
N-[(1-oxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 230.33 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-oxothiolan-3-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 123281455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).