N,4-dimethyl-2-pentylsulfonylcyclohexan-1-amine

C13H27NO2S — CID 107758538

IUPACN,4-dimethyl-2-pentylsulfonylcyclohexan-1-amine
SMILESCCCCCS(=O)(=O)C1CC(C)CCC1NC
InChIInChI=1S/C13H27NO2S/c1-4-5-6-9-17(15,16)13-10-11(2)7-8-12(13)14-3/h11-14H,4-10H2,1-3H3
InChIKeyHOVNBSZHXBTREJ-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.37
Rot. Bonds6

About N,4-dimethyl-2-pentylsulfonylcyclohexan-1-amine

N,4-dimethyl-2-pentylsulfonylcyclohexan-1-amine (PubChem CID 107758538) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N,4-dimethyl-2-pentylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-pentylsulfonylcyclohexan-1-amine
PubChem CID107758538
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN,4-dimethyl-2-pentylsulfonylcyclohexan-1-amine
SMILESCCCCCS(=O)(=O)C1CC(C)CCC1NC
InChIInChI=1S/C13H27NO2S/c1-4-5-6-9-17(15,16)13-10-11(2)7-8-12(13)14-3/h11-14H,4-10H2,1-3H3
InChIKeyHOVNBSZHXBTREJ-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.37
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-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine
CID 107758549
methyl 3-[5-methyl-2-(methylamino)cyclohexyl]sulfonylpropanoate
CID 64673971
N-methyl-3-pentylsulfonyloxan-4-amine
CID 107758700
(2-butylsulfonyl-4-methylcyclohexyl)methanamine
CID 64697630
2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64673814
N,4-dimethyl-2-nonylcyclohexan-1-amine
CID 63403610
N-methyl-2-propylsulfonylcyclooctan-1-amine
CID 64644517
7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64675340
methyl 3-[2-(ethylamino)-5-methylcyclohexyl]sulfonylpropanoate
CID 64675553
pentylsulfonylcyclopropane
CID 165043967
4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine
CID 62784580
N,4-dimethyl-2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine
CID 62615388

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-pentylsulfonylcyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-2-pentylsulfonylcyclohexan-1-amine (CID 107758538) is N,4-dimethyl-2-pentylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-2-pentylsulfonylcyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-2-pentylsulfonylcyclohexan-1-amine is CCCCCS(=O)(=O)C1CC(C)CCC1NC.
What is the InChIKey of N,4-dimethyl-2-pentylsulfonylcyclohexan-1-amine?
The InChIKey is HOVNBSZHXBTREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-4-5-6-9-17(15,16)13-10-11(2)7-8-12(13)14-3/h11-14H,4-10H2,1-3H3.
What are the key properties of N,4-dimethyl-2-pentylsulfonylcyclohexan-1-amine?
N,4-dimethyl-2-pentylsulfonylcyclohexan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-pentylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 107758538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).