N-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide

C12H21N3OS — CID 79154927

IUPACN-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide
SMILESNC(=S)C1CCCC1NC(=O)N1CCCCC1
InChIInChI=1S/C12H21N3OS/c13-11(17)9-5-4-6-10(9)14-12(16)15-7-2-1-3-8-15/h9-10H,1-8H2,(H2,13,17)(H,14,16)
InChIKeySEPCZZHYCOAPKY-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.64
Rot. Bonds2

About N-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide

N-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide (PubChem CID 79154927) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide
PubChem CID79154927
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide
SMILESNC(=S)C1CCCC1NC(=O)N1CCCCC1
InChIInChI=1S/C12H21N3OS/c13-11(17)9-5-4-6-10(9)14-12(16)15-7-2-1-3-8-15/h9-10H,1-8H2,(H2,13,17)(H,14,16)
InChIKeySEPCZZHYCOAPKY-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide
CID 79155291
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]pyrrolidine-1-carboxamide
CID 79161257
2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 64816878
cis-(1R,2S)-2-(azetidine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 164662283
N-[2-(aminomethyl)cyclopentyl]pyrrolidine-1-carboxamide
CID 79162307
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylpiperidine-1-carboxamide
CID 79163497
2-(piperidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide
CID 62957475
N-(2-methylcycloheptyl)piperidine-1-carboxamide
CID 115665269
N-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide
CID 40530963
N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide
CID 62956227
N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide
CID 62955195
cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid
CID 15534342

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide (CID 79154927) is N-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide is NC(=S)C1CCCC1NC(=O)N1CCCCC1.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide?
The InChIKey is SEPCZZHYCOAPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c13-11(17)9-5-4-6-10(9)14-12(16)15-7-2-1-3-8-15/h9-10H,1-8H2,(H2,13,17)(H,14,16).
What are the key properties of N-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide?
N-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide has a molecular weight of 255.39 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide is sourced from PubChem (CID 79154927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).