1-cyclohexyl-N-ethyl-2-ethylsulfinylethanamine

C12H25NOS — CID 104754519

IUPAC1-cyclohexyl-N-ethyl-2-ethylsulfinylethanamine
SMILESCCNC(CS(=O)CC)C1CCCCC1
InChIInChI=1S/C12H25NOS/c1-3-13-12(10-15(14)4-2)11-8-6-5-7-9-11/h11-13H,3-10H2,1-2H3
InChIKeyDKTMTYZWYJHJHN-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.31
Rot. Bonds6

About 1-cyclohexyl-N-ethyl-2-ethylsulfinylethanamine

1-cyclohexyl-N-ethyl-2-ethylsulfinylethanamine (PubChem CID 104754519) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-2-ethylsulfinylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-2-ethylsulfinylethanamine
PubChem CID104754519
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name1-cyclohexyl-N-ethyl-2-ethylsulfinylethanamine
SMILESCCNC(CS(=O)CC)C1CCCCC1
InChIInChI=1S/C12H25NOS/c1-3-13-12(10-15(14)4-2)11-8-6-5-7-9-11/h11-13H,3-10H2,1-2H3
InChIKeyDKTMTYZWYJHJHN-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine
CID 64654604
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine
CID 104754785
2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine
CID 104754578
1-cycloheptyl-2-cyclohexyl-N-ethylethanamine
CID 65399491
1,2-di(cycloheptyl)-N-ethylethanamine
CID 105027799
2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfinyl-1-pyrrolidin-1-ylethanone
CID 114236179
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660
1-cycloheptyl-N-ethyl-3-methylpentan-1-amine
CID 65399965
1-cyclopentyl-N-ethyl-2-methylsulfonylethanamine
CID 115601066
N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine
CID 104754724
1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine
CID 104754647

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-2-ethylsulfinylethanamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-2-ethylsulfinylethanamine (CID 104754519) is 1-cyclohexyl-N-ethyl-2-ethylsulfinylethanamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-2-ethylsulfinylethanamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-2-ethylsulfinylethanamine is CCNC(CS(=O)CC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-2-ethylsulfinylethanamine?
The InChIKey is DKTMTYZWYJHJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-3-13-12(10-15(14)4-2)11-8-6-5-7-9-11/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-ethyl-2-ethylsulfinylethanamine?
1-cyclohexyl-N-ethyl-2-ethylsulfinylethanamine has a molecular weight of 231.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-2-ethylsulfinylethanamine is sourced from PubChem (CID 104754519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).