N-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine

C16H33NO2S — CID 64674025

IUPACN-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)CC)CC1S(=O)(=O)C(C)C
InChIInChI=1S/C16H33NO2S/c1-7-16(5,6)13-9-10-14(17-8-2)15(11-13)20(18,19)12(3)4/h12-15,17H,7-11H2,1-6H3
InChIKeySWCQLYJHOYZPKS-UHFFFAOYSA-N
MW303.51 g/mol
LogP3.39
Rot. Bonds6

About N-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine

N-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine (PubChem CID 64674025) has the molecular formula C16H33NO2S and a molecular weight of 303.51 g/mol. Its IUPAC name is N-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine
PubChem CID64674025
Molecular FormulaC16H33NO2S
Molecular Weight303.51 g/mol
Exact Mass303.22
IUPAC NameN-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)CC)CC1S(=O)(=O)C(C)C
InChIInChI=1S/C16H33NO2S/c1-7-16(5,6)13-9-10-14(17-8-2)15(11-13)20(18,19)12(3)4/h12-15,17H,7-11H2,1-6H3
InChIKeySWCQLYJHOYZPKS-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine
CID 63468083
N-ethyl-4-(2-methylbutan-2-yl)-2-(2-methylpyrrolidin-1-yl)cyclohexan-1-amine
CID 63469389
[4-(2-methylbutan-2-yl)-2-methylsulfonylcyclohexyl]methanamine
CID 64698061
[2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 64696759
4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine
CID 65097873
3-butan-2-ylsulfonyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64903872
4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
CID 64644514
2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 64674704
4-tert-butyl-2-propan-2-ylsulfonylcyclohexane-1-carbonitrile
CID 64691840
N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 29033402
4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine
CID 64625882
[2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol
CID 64814908

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine?
The IUPAC name of N-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine (CID 64674025) is N-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine is CCNC1CCC(C(C)(C)CC)CC1S(=O)(=O)C(C)C.
What is the InChIKey of N-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine?
The InChIKey is SWCQLYJHOYZPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2S/c1-7-16(5,6)13-9-10-14(17-8-2)15(11-13)20(18,19)12(3)4/h12-15,17H,7-11H2,1-6H3.
What are the key properties of N-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine?
N-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine has a molecular weight of 303.51 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 64674025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).