N-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide

C12H16N2OS2 — CID 61121515

IUPACN-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide
SMILESNC(=S)C1(NC(=O)c2cccs2)CCCCC1
InChIInChI=1S/C12H16N2OS2/c13-11(16)12(6-2-1-3-7-12)14-10(15)9-5-4-8-17-9/h4-5,8H,1-3,6-7H2,(H2,13,16)(H,14,15)
InChIKeyBWODLMUMFSCWPC-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.47
Rot. Bonds3

About N-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide

N-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide (PubChem CID 61121515) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide
PubChem CID61121515
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC NameN-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide
SMILESNC(=S)C1(NC(=O)c2cccs2)CCCCC1
InChIInChI=1S/C12H16N2OS2/c13-11(16)12(6-2-1-3-7-12)14-10(15)9-5-4-8-17-9/h4-5,8H,1-3,6-7H2,(H2,13,16)(H,14,15)
InChIKeyBWODLMUMFSCWPC-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide
CID 61118938
N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide
CID 79693305
N-(1-carbamothioylcyclooctyl)thiadiazole-4-carboxamide
CID 65216374
1-(thiophen-2-ylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123756
1-(thiophen-2-ylsulfonylamino)cycloheptane-1-carbothioamide
CID 61124079
N-(1-carbamothioylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 61120338
N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide
CID 61121119
N-(1-carbamothioylcycloheptyl)-6-methylpyridine-2-carboxamide
CID 61119375
N-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 63024241
N-(1-carbamothioylcyclopentyl)-2,3,4-trifluorobenzamide
CID 79749223
N-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide
CID 62881411
N-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide
CID 119309327

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide (CID 61121515) is N-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide is NC(=S)C1(NC(=O)c2cccs2)CCCCC1.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide?
The InChIKey is BWODLMUMFSCWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c13-11(16)12(6-2-1-3-7-12)14-10(15)9-5-4-8-17-9/h4-5,8H,1-3,6-7H2,(H2,13,16)(H,14,15).
What are the key properties of N-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide?
N-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide has a molecular weight of 268.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide is sourced from PubChem (CID 61121515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).