N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine

C16H31NO2S — CID 64675834

IUPACN-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1S(=O)(=O)C1CCCC(C)C1
InChIInChI=1S/C16H31NO2S/c1-4-17-15-9-8-13(3)11-16(15)20(18,19)14-7-5-6-12(2)10-14/h12-17H,4-11H2,1-3H3
InChIKeyQYWWZKMJJNXIFP-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.15
Rot. Bonds4

About N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine

N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine (PubChem CID 64675834) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
PubChem CID64675834
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC NameN-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1S(=O)(=O)C1CCCC(C)C1
InChIInChI=1S/C16H31NO2S/c1-4-17-15-9-8-13(3)11-16(15)20(18,19)14-7-5-6-12(2)10-14/h12-17H,4-11H2,1-3H3
InChIKeyQYWWZKMJJNXIFP-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine
CID 64676033
N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64751898
2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64673814
N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64717552
2-cyclohexylsulfonyl-N,4-diethylcyclohexan-1-amine
CID 64674406
4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64676428
2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 64674704
3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64717553
4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine
CID 62784580
N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine
CID 64676036
N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64717554
methyl 3-[2-(ethylamino)-5-methylcyclohexyl]sulfonylpropanoate
CID 64675553

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
The IUPAC name of N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine (CID 64675834) is N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine is CCNC1CCC(C)CC1S(=O)(=O)C1CCCC(C)C1.
What is the InChIKey of N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
The InChIKey is QYWWZKMJJNXIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-4-17-15-9-8-13(3)11-16(15)20(18,19)14-7-5-6-12(2)10-14/h12-17H,4-11H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine is sourced from PubChem (CID 64675834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).