N-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide

C14H20N2O2S — CID 11916086

IUPACN-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=S)NC(=O)c1ccco1
InChIInChI=1S/C14H20N2O2S/c1-9-5-3-6-11(10(9)2)15-14(19)16-13(17)12-7-4-8-18-12/h4,7-11H,3,5-6H2,1-2H3,(H2,15,16,17,19)/t9-,10-,11+/m1/s1
InChIKeyUOKARNSVRMMCPA-MXWKQRLJSA-N
MW280.39 g/mol
LogP2.71
Rot. Bonds2

About N-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide

N-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide (PubChem CID 11916086) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide
PubChem CID11916086
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=S)NC(=O)c1ccco1
InChIInChI=1S/C14H20N2O2S/c1-9-5-3-6-11(10(9)2)15-14(19)16-13(17)12-7-4-8-18-12/h4,7-11H,3,5-6H2,1-2H3,(H2,15,16,17,19)/t9-,10-,11+/m1/s1
InChIKeyUOKARNSVRMMCPA-MXWKQRLJSA-N
XLogP2.71
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.71
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-[(1R,2R,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 40617423
2-bromo-N-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamothioyl]benzamide
CID 7041207
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 7440371
N-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 27155073
N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9404333
1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-(3-phenylpropanoylamino)thiourea
CID 11946125
1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[[2-(3-fluorophenyl)acetyl]amino]thiourea
CID 11946426
[(2R)-1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 11939063
N-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]carbamothioyl]cyclopropanecarboxamide
CID 7858471
1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[[3-(methoxymethyl)benzoyl]amino]thiourea
CID 11937231
N-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-2-carboxamide
CID 702120
1-[[2-(4-chlorophenyl)acetyl]amino]-3-[(1S,2R,3R)-2,3-dimethylcyclohexyl]thiourea
CID 11946243

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide (CID 11916086) is N-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide is C[C@@H]1[C@H](C)CCC[C@@H]1NC(=S)NC(=O)c1ccco1.
What is the InChIKey of N-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide?
The InChIKey is UOKARNSVRMMCPA-MXWKQRLJSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9-5-3-6-11(10(9)2)15-14(19)16-13(17)12-7-4-8-18-12/h4,7-11H,3,5-6H2,1-2H3,(H2,15,16,17,19)/t9-,10-,11+/m1/s1.
What are the key properties of N-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide?
N-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 11916086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).