N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide

C14H26N2O2S — CID 103020316

IUPACN-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide
SMILESCCC1CCC(NC(=O)C(C)(C)OC)(C(N)=S)CC1
InChIInChI=1S/C14H26N2O2S/c1-5-10-6-8-14(9-7-10,11(15)19)16-12(17)13(2,3)18-4/h10H,5-9H2,1-4H3,(H2,15,19)(H,16,17)
InChIKeyXKJXNLSVFFHRBV-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.15
Rot. Bonds5

About N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide

N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide (PubChem CID 103020316) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide
PubChem CID103020316
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide
SMILESCCC1CCC(NC(=O)C(C)(C)OC)(C(N)=S)CC1
InChIInChI=1S/C14H26N2O2S/c1-5-10-6-8-14(9-7-10,11(15)19)16-12(17)13(2,3)18-4/h10H,5-9H2,1-4H3,(H2,15,19)(H,16,17)
InChIKeyXKJXNLSVFFHRBV-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.15
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-carbamothioyl-4-ethylcyclohexyl)benzamide
CID 61121408
1-(tert-butylsulfamoylamino)-4-ethylcyclohexane-1-carbothioamide
CID 114808157
1-[(2-methoxy-2-methylpropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 103018203
N-(1-carbamothioyl-4-ethylcyclohexyl)-3-methylpiperidine-1-carboxamide
CID 79158410
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
2-bromo-N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide
CID 61120816
N-(1-carbamothioyl-4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 61121809
N-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide
CID 79802020
4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 62845996
N-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide
CID 107961704
2-bromo-N-(1-carbamothioyl-4-ethylcyclohexyl)furan-3-carboxamide
CID 106852172
methyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate
CID 66099022

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide (CID 103020316) is N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide is CCC1CCC(NC(=O)C(C)(C)OC)(C(N)=S)CC1.
What is the InChIKey of N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide?
The InChIKey is XKJXNLSVFFHRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-5-10-6-8-14(9-7-10,11(15)19)16-12(17)13(2,3)18-4/h10H,5-9H2,1-4H3,(H2,15,19)(H,16,17).
What are the key properties of N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide?
N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide has a molecular weight of 286.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103020316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).