N-methyl-2-(3-methylcyclohexyl)sulfonylpentan-3-amine

C13H27NO2S — CID 64674052

IUPACN-methyl-2-(3-methylcyclohexyl)sulfonylpentan-3-amine
SMILESCCC(NC)C(C)S(=O)(=O)C1CCCC(C)C1
InChIInChI=1S/C13H27NO2S/c1-5-13(14-4)11(3)17(15,16)12-8-6-7-10(2)9-12/h10-14H,5-9H2,1-4H3
InChIKeyRNDZNZDVXYHREE-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.37
Rot. Bonds5

About N-methyl-2-(3-methylcyclohexyl)sulfonylpentan-3-amine

N-methyl-2-(3-methylcyclohexyl)sulfonylpentan-3-amine (PubChem CID 64674052) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-methyl-2-(3-methylcyclohexyl)sulfonylpentan-3-amine.

Molecular Properties

Compound NameN-methyl-2-(3-methylcyclohexyl)sulfonylpentan-3-amine
PubChem CID64674052
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-methyl-2-(3-methylcyclohexyl)sulfonylpentan-3-amine
SMILESCCC(NC)C(C)S(=O)(=O)C1CCCC(C)C1
InChIInChI=1S/C13H27NO2S/c1-5-13(14-4)11(3)17(15,16)12-8-6-7-10(2)9-12/h10-14H,5-9H2,1-4H3
InChIKeyRNDZNZDVXYHREE-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

methyl 2-methyl-3-(3-methylcyclohexyl)sulfonylbutanoate
CID 79392239
ethyl 2-(3-methylcyclohexyl)sulfonylbutanoate
CID 64661072
N-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine
CID 64675839
N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64717554
1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine
CID 64676231
4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 55115171
N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64717552
1-cyclobutyl-N-methyl-3-methylsulfonylbutan-2-amine
CID 115863751
N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64751898
2-butan-2-ylsulfonyl-N-methylpentan-3-amine
CID 64645279
3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64717553
2-methylbutane;methylcyclobutane
CID 57473841

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylcyclohexyl)sulfonylpentan-3-amine?
The IUPAC name of N-methyl-2-(3-methylcyclohexyl)sulfonylpentan-3-amine (CID 64674052) is N-methyl-2-(3-methylcyclohexyl)sulfonylpentan-3-amine.
What is the SMILES notation for N-methyl-2-(3-methylcyclohexyl)sulfonylpentan-3-amine?
The canonical SMILES for N-methyl-2-(3-methylcyclohexyl)sulfonylpentan-3-amine is CCC(NC)C(C)S(=O)(=O)C1CCCC(C)C1.
What is the InChIKey of N-methyl-2-(3-methylcyclohexyl)sulfonylpentan-3-amine?
The InChIKey is RNDZNZDVXYHREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-5-13(14-4)11(3)17(15,16)12-8-6-7-10(2)9-12/h10-14H,5-9H2,1-4H3.
What are the key properties of N-methyl-2-(3-methylcyclohexyl)sulfonylpentan-3-amine?
N-methyl-2-(3-methylcyclohexyl)sulfonylpentan-3-amine has a molecular weight of 261.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylcyclohexyl)sulfonylpentan-3-amine is sourced from PubChem (CID 64674052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).