N-ethyl-2-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine

C15H31NO2S — CID 105014334

IUPACN-ethyl-2-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine
SMILESCCCC(C)C(NCC)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C15H31NO2S/c1-5-8-12(3)15(16-6-2)13-9-7-10-14(11-13)19(4,17)18/h12-16H,5-11H2,1-4H3
InChIKeyRECKMZWROKNVFF-UHFFFAOYSA-N
MW289.49 g/mol
LogP3.00
Rot. Bonds7

About N-ethyl-2-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine

N-ethyl-2-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine (PubChem CID 105014334) has the molecular formula C15H31NO2S and a molecular weight of 289.49 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine
PubChem CID105014334
Molecular FormulaC15H31NO2S
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC NameN-ethyl-2-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine
SMILESCCCC(C)C(NCC)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C15H31NO2S/c1-5-8-12(3)15(16-6-2)13-9-7-10-14(11-13)19(4,17)18/h12-16H,5-11H2,1-4H3
InChIKeyRECKMZWROKNVFF-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine
CID 75483309
N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine
CID 75500184
N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine
CID 121538265
(3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine
CID 128860817
N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64629735
N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64629737
N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64630557
N-(2-methylsulfonylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754265
N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754878
N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757996
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758402

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine (CID 105014334) is N-ethyl-2-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine is CCCC(C)C(NCC)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of N-ethyl-2-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine?
The InChIKey is RECKMZWROKNVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-5-8-12(3)15(16-6-2)13-9-7-10-14(11-13)19(4,17)18/h12-16H,5-11H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine?
N-ethyl-2-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine has a molecular weight of 289.49 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine is sourced from PubChem (CID 105014334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).