N-hexyl-1-methylcyclohexane-1-sulfinamide

C13H27NOS — CID 21439268

IUPACN-hexyl-1-methylcyclohexane-1-sulfinamide
SMILESCCCCCCNS(=O)C1(C)CCCCC1
InChIInChI=1S/C13H27NOS/c1-3-4-5-9-12-14-16(15)13(2)10-7-6-8-11-13/h14H,3-12H2,1-2H3
InChIKeyVCKGQMXZYGZVGZ-UHFFFAOYSA-N
MW245.43 g/mol
LogP3.54
Rot. Bonds7

About N-hexyl-1-methylcyclohexane-1-sulfinamide

N-hexyl-1-methylcyclohexane-1-sulfinamide (PubChem CID 21439268) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is N-hexyl-1-methylcyclohexane-1-sulfinamide.

Molecular Properties

Compound NameN-hexyl-1-methylcyclohexane-1-sulfinamide
PubChem CID21439268
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC NameN-hexyl-1-methylcyclohexane-1-sulfinamide
SMILESCCCCCCNS(=O)C1(C)CCCCC1
InChIInChI=1S/C13H27NOS/c1-3-4-5-9-12-14-16(15)13(2)10-7-6-8-11-13/h14H,3-12H2,1-2H3
InChIKeyVCKGQMXZYGZVGZ-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-1-methylcyclohexan-1-amine
CID 63491392
1-(sulfinoamino)tetradecane
CID 57045520
1-methyl-1-undecylcyclohexane
CID 86137257
N-dodecyl-1-nitrosocycloheptan-1-amine
CID 57283646
1-methyl-N-pentylcyclopentan-1-amine
CID 61365384
1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide
CID 132573279
cyclopropane;octadecane
CID 174865519
cyclopropane;icosane
CID 162221728
1-[(octylamino)methyl]cyclohexan-1-ol
CID 65106974
[1-(hexylamino)cyclohexyl]methanol
CID 62519893
1-(chloromethyl)-N-decylcyclohexan-1-amine
CID 65024500
N-hexyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242387

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1-methylcyclohexane-1-sulfinamide?
The IUPAC name of N-hexyl-1-methylcyclohexane-1-sulfinamide (CID 21439268) is N-hexyl-1-methylcyclohexane-1-sulfinamide.
What is the SMILES notation for N-hexyl-1-methylcyclohexane-1-sulfinamide?
The canonical SMILES for N-hexyl-1-methylcyclohexane-1-sulfinamide is CCCCCCNS(=O)C1(C)CCCCC1.
What is the InChIKey of N-hexyl-1-methylcyclohexane-1-sulfinamide?
The InChIKey is VCKGQMXZYGZVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-3-4-5-9-12-14-16(15)13(2)10-7-6-8-11-13/h14H,3-12H2,1-2H3.
What are the key properties of N-hexyl-1-methylcyclohexane-1-sulfinamide?
N-hexyl-1-methylcyclohexane-1-sulfinamide has a molecular weight of 245.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1-methylcyclohexane-1-sulfinamide is sourced from PubChem (CID 21439268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).