2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine

C17H33NOS — CID 64656792

IUPAC2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(S(=O)C2CCCCC2)C1
InChIInChI=1S/C17H33NOS/c1-3-8-14-11-12-16(18-4-2)17(13-14)20(19)15-9-6-5-7-10-15/h14-18H,3-13H2,1-2H3
InChIKeyDOIVXNIHHPDHHZ-UHFFFAOYSA-N
MW299.52 g/mol
LogP4.01
Rot. Bonds6

About 2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine

2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine (PubChem CID 64656792) has the molecular formula C17H33NOS and a molecular weight of 299.52 g/mol. Its IUPAC name is 2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine
PubChem CID64656792
Molecular FormulaC17H33NOS
Molecular Weight299.52 g/mol
Exact Mass299.23
IUPAC Name2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(S(=O)C2CCCCC2)C1
InChIInChI=1S/C17H33NOS/c1-3-8-14-11-12-16(18-4-2)17(13-14)20(19)15-9-6-5-7-10-15/h14-18H,3-13H2,1-2H3
InChIKeyDOIVXNIHHPDHHZ-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine
CID 64655043
2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64656857
2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine
CID 64654965
2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine
CID 64654215
2-cyclohexylsulfinyl-N-propylcyclopentan-1-amine
CID 64655374
2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine
CID 63401306
2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine
CID 64651091
2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 64651231
(2-cyclohexylsulfinyl-4-ethylcyclohexyl)methanamine
CID 81329482
2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 106496357
[2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine
CID 81332933
N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine
CID 64651216

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine (CID 64656792) is 2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine is CCCC1CCC(NCC)C(S(=O)C2CCCCC2)C1.
What is the InChIKey of 2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine?
The InChIKey is DOIVXNIHHPDHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NOS/c1-3-8-14-11-12-16(18-4-2)17(13-14)20(19)15-9-6-5-7-10-15/h14-18H,3-13H2,1-2H3.
What are the key properties of 2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine?
2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine has a molecular weight of 299.52 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 64656792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).