(2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride

C8H15ClN2O2S — CID 131160680

IUPAC(2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCS(=O)C1)[C@H]1CCN1
InChIInChI=1S/C8H14N2O2S.ClH/c11-8(7-1-3-9-7)10-6-2-4-13(12)5-6;/h6-7,9H,1-5H2,(H,10,11);1H/t6?,7-,13?;/m1./s1
InChIKeyCOOZXGVYIDYCBM-SKRPOJBLSA-N
MW238.74 g/mol
LogP-0.59
Rot. Bonds2

About (2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride

(2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride (PubChem CID 131160680) has the molecular formula C8H15ClN2O2S and a molecular weight of 238.74 g/mol. Its IUPAC name is (2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride
PubChem CID131160680
Molecular FormulaC8H15ClN2O2S
Molecular Weight238.74 g/mol
Exact Mass238.05
IUPAC Name(2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCS(=O)C1)[C@H]1CCN1
InChIInChI=1S/C8H14N2O2S.ClH/c11-8(7-1-3-9-7)10-6-2-4-13(12)5-6;/h6-7,9H,1-5H2,(H,10,11);1H/t6?,7-,13?;/m1./s1
InChIKeyCOOZXGVYIDYCBM-SKRPOJBLSA-N
XLogP-0.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-oxothiolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 131203765
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
2,2-difluoro-N-(1-oxothiolan-3-yl)acetamide
CID 131101676
3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide
CID 102780062
5-oxo-N-(1-oxothian-4-yl)piperazine-2-carboxamide
CID 107437601
N-cyclopentylazepane-2-carboxamide
CID 64564743
N-(1-propan-2-ylazetidin-3-yl)azetidine-2-carboxamide
CID 131007923
(2S)-N-cyclopent-3-en-1-ylpyrrolidine-2-carboxamide
CID 104863890
(2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 130690073
(2R)-N-(3-azabicyclo[3.1.0]hexan-6-yl)azetidine-2-carboxamide
CID 130636996
N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889
(2S)-N-piperidin-3-ylpyrrolidine-2-carboxamide
CID 89303395

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride (CID 131160680) is (2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride is Cl.O=C(NC1CCS(=O)C1)[C@H]1CCN1.
What is the InChIKey of (2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride?
The InChIKey is COOZXGVYIDYCBM-SKRPOJBLSA-N. The full InChI is InChI=1S/C8H14N2O2S.ClH/c11-8(7-1-3-9-7)10-6-2-4-13(12)5-6;/h6-7,9H,1-5H2,(H,10,11);1H/t6?,7-,13?;/m1./s1.
What are the key properties of (2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride?
(2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride has a molecular weight of 238.74 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 131160680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).