3-methyl-N-(2-methylsulfanylethyl)-3-propan-2-ylcyclohexane-1-carboxamide

C14H27NOS — CID 91495124

IUPAC3-methyl-N-(2-methylsulfanylethyl)-3-propan-2-ylcyclohexane-1-carboxamide
SMILESCSCCNC(=O)C1CCCC(C)(C(C)C)C1
InChIInChI=1S/C14H27NOS/c1-11(2)14(3)7-5-6-12(10-14)13(16)15-8-9-17-4/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyQLEBYHHGYFYAGY-UHFFFAOYSA-N
MW257.44 g/mol
LogP3.32
Rot. Bonds5

About 3-methyl-N-(2-methylsulfanylethyl)-3-propan-2-ylcyclohexane-1-carboxamide

3-methyl-N-(2-methylsulfanylethyl)-3-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 91495124) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 3-methyl-N-(2-methylsulfanylethyl)-3-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylsulfanylethyl)-3-propan-2-ylcyclohexane-1-carboxamide
PubChem CID91495124
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name3-methyl-N-(2-methylsulfanylethyl)-3-propan-2-ylcyclohexane-1-carboxamide
SMILESCSCCNC(=O)C1CCCC(C)(C(C)C)C1
InChIInChI=1S/C14H27NOS/c1-11(2)14(3)7-5-6-12(10-14)13(16)15-8-9-17-4/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyQLEBYHHGYFYAGY-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Ethyl-1-(isopropyl)-2-methylcyclohexanecarboxamide
CID 3016620
N-Ethyl-1-isopropylcyclohexanecarboxamide
CID 3016622
N-ethyl-1-(1-methylpropyl)cyclohexanecarboxamide
CID 3016624
N-ethyl-2-methyl-1-(2-methylpropyl)cyclohexane-1-carboxamide
CID 102267629
2-[1-(aminomethyl)cyclohexyl]-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
CID 104844357
2-[1-(acetamidomethyl)cyclohexyl]-N-(2-sulfanylethyl)acetamide
CID 177679692
2-(cyclohexylmethyl)-N-(2-sulfanylethyl)pentanamide
CID 177680012
1-cyclohexyl-N-(2-sulfanylethyl)cyclohexane-1-carboxamide
CID 177680439
2-cyclohexyl-N-(2-methylsulfanylethyl)acetamide
CID 18360983
N-ethyl-3,3,5-trimethylcyclohexane-1-carboxamide
CID 18712297
4-tert-butyl-N-ethylcyclohexane-1-carboxamide
CID 18712320
N,1,2-triethylcyclohexane-1-carboxamide
CID 20565378

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylsulfanylethyl)-3-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylsulfanylethyl)-3-propan-2-ylcyclohexane-1-carboxamide (CID 91495124) is 3-methyl-N-(2-methylsulfanylethyl)-3-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylsulfanylethyl)-3-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylsulfanylethyl)-3-propan-2-ylcyclohexane-1-carboxamide is CSCCNC(=O)C1CCCC(C)(C(C)C)C1.
What is the InChIKey of 3-methyl-N-(2-methylsulfanylethyl)-3-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is QLEBYHHGYFYAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-11(2)14(3)7-5-6-12(10-14)13(16)15-8-9-17-4/h11-12H,5-10H2,1-4H3,(H,15,16).
What are the key properties of 3-methyl-N-(2-methylsulfanylethyl)-3-propan-2-ylcyclohexane-1-carboxamide?
3-methyl-N-(2-methylsulfanylethyl)-3-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 257.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylsulfanylethyl)-3-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 91495124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).