1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide

C10H16N2OS — CID 126980533

IUPAC1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(C(=O)N2CCC2)CCCC1
InChIInChI=1S/C10H16N2OS/c11-8(14)10(4-1-2-5-10)9(13)12-6-3-7-12/h1-7H2,(H2,11,14)
InChIKeyBDPNNPFCCZWRQW-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.07
Rot. Bonds2

About 1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide

1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide (PubChem CID 126980533) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide
PubChem CID126980533
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(C(=O)N2CCC2)CCCC1
InChIInChI=1S/C10H16N2OS/c11-8(14)10(4-1-2-5-10)9(13)12-6-3-7-12/h1-7H2,(H2,11,14)
InChIKeyBDPNNPFCCZWRQW-UHFFFAOYSA-N
XLogP1.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyclopropylpiperazine-1-carbonyl)cyclobutane-1-carbothioamide
CID 80589211
1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclobutane-1-carbothioamide
CID 80590136
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cyclopentane-1-carbothioamide
CID 113335705
1-(3-methoxy-3-methylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide
CID 107392678
1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide
CID 62205619
1-(4-ethylazepane-1-carbonyl)cyclobutane-1-carbothioamide
CID 80590481
1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide
CID 106835942
1-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclobutane-1-carbothioamide
CID 80589264
1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclobutane-1-carbothioamide
CID 114536931
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbothioamide
CID 102743896
1-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide
CID 80589779
1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]cycloheptane-1-carbothioamide
CID 107227387

Frequently Asked Questions

What is the IUPAC name of 1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide (CID 126980533) is 1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide is NC(=S)C1(C(=O)N2CCC2)CCCC1.
What is the InChIKey of 1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide?
The InChIKey is BDPNNPFCCZWRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c11-8(14)10(4-1-2-5-10)9(13)12-6-3-7-12/h1-7H2,(H2,11,14).
What are the key properties of 1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide?
1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide has a molecular weight of 212.32 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide is sourced from PubChem (CID 126980533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).