N-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine

C15H31NO2S — CID 107758549

IUPACN-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine
SMILESCCCCCS(=O)(=O)C1CC(CCC)CCC1NC
InChIInChI=1S/C15H31NO2S/c1-4-6-7-11-19(17,18)15-12-13(8-5-2)9-10-14(15)16-3/h13-16H,4-12H2,1-3H3
InChIKeyZDFAYRRZBSPTEV-UHFFFAOYSA-N
MW289.48 g/mol
LogP3.15
Rot. Bonds8

About N-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine

N-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine (PubChem CID 107758549) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is N-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine
PubChem CID107758549
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC NameN-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine
SMILESCCCCCS(=O)(=O)C1CC(CCC)CCC1NC
InChIInChI=1S/C15H31NO2S/c1-4-6-7-11-19(17,18)15-12-13(8-5-2)9-10-14(15)16-3/h13-16H,4-12H2,1-3H3
InChIKeyZDFAYRRZBSPTEV-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-2-pentylsulfonylcyclohexan-1-amine
CID 107758538
N-methyl-3-pentylsulfonyloxan-4-amine
CID 107758700
2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681
2-(4-bromophenyl)sulfonyl-N-methyl-4-propylcyclohexan-1-amine
CID 64646653
N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727245
2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine
CID 64651470
N-methyl-2-propylsulfonylcyclooctan-1-amine
CID 64644517
2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 62616762
2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine
CID 64651091
7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64675340
N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
CID 83159163
pentylsulfonylcyclopropane
CID 165043967

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine (CID 107758549) is N-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine is CCCCCS(=O)(=O)C1CC(CCC)CCC1NC.
What is the InChIKey of N-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine?
The InChIKey is ZDFAYRRZBSPTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-4-6-7-11-19(17,18)15-12-13(8-5-2)9-10-14(15)16-3/h13-16H,4-12H2,1-3H3.
What are the key properties of N-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine?
N-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine has a molecular weight of 289.48 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 107758549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).