N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide

C13H18N2O2S — CID 61119738

IUPACN-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C13H18N2O2S/c1-9-10(5-8-17-9)11(16)15-13(12(14)18)6-3-2-4-7-13/h5,8H,2-4,6-7H2,1H3,(H2,14,18)(H,15,16)
InChIKeyVCJBEDMRFIULJZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.31
Rot. Bonds3

About N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide

N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide (PubChem CID 61119738) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide
PubChem CID61119738
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C13H18N2O2S/c1-9-10(5-8-17-9)11(16)15-13(12(14)18)6-3-2-4-7-13/h5,8H,2-4,6-7H2,1H3,(H2,14,18)(H,15,16)
InChIKeyVCJBEDMRFIULJZ-UHFFFAOYSA-N
XLogP2.31
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.31
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-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide
CID 61119528
N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide
CID 61118946
2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide
CID 107982246
N-(1-carbamothioylcycloheptyl)-2-hydroxy-5-methylbenzamide
CID 61119175
N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide
CID 61120929
2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid
CID 64671935
N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide
CID 107722057
N-(1-cyanocyclopentyl)-2-methylfuran-3-carboxamide
CID 60704628
2-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)furan-3-carboxamide
CID 106852171
N-(1-carbamothioylcyclopentyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670382
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545136
N-(1-carbamothioylcyclooctyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801536

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide (CID 61119738) is N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NC1(C(N)=S)CCCCC1.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide?
The InChIKey is VCJBEDMRFIULJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9-10(5-8-17-9)11(16)15-13(12(14)18)6-3-2-4-7-13/h5,8H,2-4,6-7H2,1H3,(H2,14,18)(H,15,16).
What are the key properties of N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide?
N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 61119738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).