N-(1-oxothiolan-3-yl)azetidine-1-carboxamide

C8H14N2O2S — CID 130943842

IUPACN-(1-oxothiolan-3-yl)azetidine-1-carboxamide
SMILESO=C(NC1CCS(=O)C1)N1CCC1
InChIInChI=1S/C8H14N2O2S/c11-8(10-3-1-4-10)9-7-2-5-13(12)6-7/h7H,1-6H2,(H,9,11)
InChIKeyZRCPBCFDCGIMEY-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.08
Rot. Bonds1

About N-(1-oxothiolan-3-yl)azetidine-1-carboxamide

N-(1-oxothiolan-3-yl)azetidine-1-carboxamide (PubChem CID 130943842) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is N-(1-oxothiolan-3-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-oxothiolan-3-yl)azetidine-1-carboxamide
PubChem CID130943842
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC NameN-(1-oxothiolan-3-yl)azetidine-1-carboxamide
SMILESO=C(NC1CCS(=O)C1)N1CCC1
InChIInChI=1S/C8H14N2O2S/c11-8(10-3-1-4-10)9-7-2-5-13(12)6-7/h7H,1-6H2,(H,9,11)
InChIKeyZRCPBCFDCGIMEY-UHFFFAOYSA-N
XLogP-0.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-oxothian-4-yl)piperidine-1-carboxamide
CID 104594568
N-[(1S,3R)-1-oxothiolan-3-yl]-4-phenyl-1,4-diazepane-1-carboxamide
CID 124887115
1-cyclohexyl-3-(1-oxothiolan-3-yl)urea
CID 71865616
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
methyl (3S,4S)-3,4-dimethyl-1-[[(1R,3R)-1-oxothiolan-3-yl]carbamoyl]pyrrolidine-3-carboxylate
CID 124846215
2,2-difluoro-N-(1-oxothiolan-3-yl)acetamide
CID 131101676
N-[4-(methylamino)cyclohexyl]piperidine-1-carboxamide
CID 79156160
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452
N-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide
CID 142009370
2-amino-2-methyl-N-(1-oxothiolan-3-yl)propanamide;hydrochloride
CID 130684165
N-(4-oxocyclohexyl)pyrrolidine-1-carboxamide
CID 79161033

Frequently Asked Questions

What is the IUPAC name of N-(1-oxothiolan-3-yl)azetidine-1-carboxamide?
The IUPAC name of N-(1-oxothiolan-3-yl)azetidine-1-carboxamide (CID 130943842) is N-(1-oxothiolan-3-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-(1-oxothiolan-3-yl)azetidine-1-carboxamide?
The canonical SMILES for N-(1-oxothiolan-3-yl)azetidine-1-carboxamide is O=C(NC1CCS(=O)C1)N1CCC1.
What is the InChIKey of N-(1-oxothiolan-3-yl)azetidine-1-carboxamide?
The InChIKey is ZRCPBCFDCGIMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c11-8(10-3-1-4-10)9-7-2-5-13(12)6-7/h7H,1-6H2,(H,9,11).
What are the key properties of N-(1-oxothiolan-3-yl)azetidine-1-carboxamide?
N-(1-oxothiolan-3-yl)azetidine-1-carboxamide has a molecular weight of 202.28 g/mol, XLogP of -0.08, 1 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)azetidine-1-carboxamide is sourced from PubChem (CID 130943842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).