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

C15H29NOS — CID 91112055

IUPAC3-methyl-N-(3-methylsulfanylpropyl)-3-propan-2-ylcyclohexane-1-carboxamide
SMILESCSCCCNC(=O)C1CCCC(C)(C(C)C)C1
InChIInChI=1S/C15H29NOS/c1-12(2)15(3)8-5-7-13(11-15)14(17)16-9-6-10-18-4/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyRASPYTIRPYNGKD-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.71
Rot. Bonds6

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

3-methyl-N-(3-methylsulfanylpropyl)-3-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 91112055) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is 3-methyl-N-(3-methylsulfanylpropyl)-3-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylsulfanylpropyl)-3-propan-2-ylcyclohexane-1-carboxamide
PubChem CID91112055
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name3-methyl-N-(3-methylsulfanylpropyl)-3-propan-2-ylcyclohexane-1-carboxamide
SMILESCSCCCNC(=O)C1CCCC(C)(C(C)C)C1
InChIInChI=1S/C15H29NOS/c1-12(2)15(3)8-5-7-13(11-15)14(17)16-9-6-10-18-4/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyRASPYTIRPYNGKD-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.71
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-isopropylcyclohexanecarboxamide
CID 3016622
N-ethyl-1-(1-methylpropyl)cyclohexanecarboxamide
CID 3016624
N-(2-cyclopentylsulfanylethyl)cyclohexanecarboxamide
CID 83278374
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-methyl-3-propan-2-ylcyclohexane-1-carboxamide
CID 23067544
2-[1-(aminomethyl)cyclohexyl]-N-(3-methylsulfanylpropyl)acetamide
CID 59780090
2-[1-(aminomethyl)cyclohexyl]-N-(2-methylsulfanylethyl)acetamide
CID 59780098
N-ethyl-2-(3-methyl-3-propan-2-ylcyclohexyl)acetamide
CID 66601103
2-[1-(aminomethyl)cyclohexyl]-N-[3-(3-methylhexan-3-ylsulfanyl)propyl]acetamide
CID 71070383

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylsulfanylpropyl)-3-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 3-methyl-N-(3-methylsulfanylpropyl)-3-propan-2-ylcyclohexane-1-carboxamide (CID 91112055) is 3-methyl-N-(3-methylsulfanylpropyl)-3-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methylsulfanylpropyl)-3-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methylsulfanylpropyl)-3-propan-2-ylcyclohexane-1-carboxamide is CSCCCNC(=O)C1CCCC(C)(C(C)C)C1.
What is the InChIKey of 3-methyl-N-(3-methylsulfanylpropyl)-3-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is RASPYTIRPYNGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-12(2)15(3)8-5-7-13(11-15)14(17)16-9-6-10-18-4/h12-13H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 3-methyl-N-(3-methylsulfanylpropyl)-3-propan-2-ylcyclohexane-1-carboxamide?
3-methyl-N-(3-methylsulfanylpropyl)-3-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 271.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylsulfanylpropyl)-3-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 91112055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).