2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide

C15H30N2OS — CID 62720840

IUPAC2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide
SMILESCNC(C)(CCCCSC1CCCC(C)C1)C(N)=O
InChIInChI=1S/C15H30N2OS/c1-12-7-6-8-13(11-12)19-10-5-4-9-15(2,17-3)14(16)18/h12-13,17H,4-11H2,1-3H3,(H2,16,18)
InChIKeyAJCBOWOOVBPFQR-UHFFFAOYSA-N
MW286.48 g/mol
LogP2.93
Rot. Bonds8

About 2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide

2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide (PubChem CID 62720840) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide
PubChem CID62720840
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC Name2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide
SMILESCNC(C)(CCCCSC1CCCC(C)C1)C(N)=O
InChIInChI=1S/C15H30N2OS/c1-12-7-6-8-13(11-12)19-10-5-4-9-15(2,17-3)14(16)18/h12-13,17H,4-11H2,1-3H3,(H2,16,18)
InChIKeyAJCBOWOOVBPFQR-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid
CID 62720486
2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexanoic acid
CID 63466029
ethyl 2-methyl-4-(3-methylcyclohexyl)sulfanyl-2-(propan-2-ylamino)butanoate
CID 62723180
3-(3-methylcyclohexyl)sulfanylpropanamide
CID 62721555
ethyl 2-methyl-2-(methylamino)-3-(3-methylcyclohexyl)sulfanylpropanoate
CID 62722466
2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid
CID 62721377
2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol
CID 64807359
5-(3-methylcyclohexyl)sulfanylpentan-1-amine
CID 62721729
N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine
CID 62720477
ethyl 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoate
CID 62720491
4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine
CID 62723006
2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide
CID 107755159

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide?
The IUPAC name of 2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide (CID 62720840) is 2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide is CNC(C)(CCCCSC1CCCC(C)C1)C(N)=O.
What is the InChIKey of 2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide?
The InChIKey is AJCBOWOOVBPFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-12-7-6-8-13(11-12)19-10-5-4-9-15(2,17-3)14(16)18/h12-13,17H,4-11H2,1-3H3,(H2,16,18).
What are the key properties of 2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide?
2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide has a molecular weight of 286.48 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide is sourced from PubChem (CID 62720840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).