N-(2-ethylsulfinylethyl)-4-methoxycyclohexan-1-amine

C11H23NO2S — CID 104530215

IUPACN-(2-ethylsulfinylethyl)-4-methoxycyclohexan-1-amine
SMILESCCS(=O)CCNC1CCC(OC)CC1
InChIInChI=1S/C11H23NO2S/c1-3-15(13)9-8-12-10-4-6-11(14-2)7-5-10/h10-12H,3-9H2,1-2H3
InChIKeyXOALROCSYNHSAL-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.30
Rot. Bonds6

About N-(2-ethylsulfinylethyl)-4-methoxycyclohexan-1-amine

N-(2-ethylsulfinylethyl)-4-methoxycyclohexan-1-amine (PubChem CID 104530215) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)-4-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)-4-methoxycyclohexan-1-amine
PubChem CID104530215
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-(2-ethylsulfinylethyl)-4-methoxycyclohexan-1-amine
SMILESCCS(=O)CCNC1CCC(OC)CC1
InChIInChI=1S/C11H23NO2S/c1-3-15(13)9-8-12-10-4-6-11(14-2)7-5-10/h10-12H,3-9H2,1-2H3
InChIKeyXOALROCSYNHSAL-UHFFFAOYSA-N
XLogP1.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 104527108
4-(2-Propan-2-ylsulfonylethylamino)cyclohexan-1-ol
CID 57992763
4-(2-Methylsulfonylethoxy)cyclohexan-1-amine
CID 62807210
4-(2-Methylsulfonylethylamino)cyclohexan-1-ol
CID 70946592
3-[(4-Methoxycyclohexyl)amino]propane-1-sulfonic acid
CID 142679215
4-[(2-methylpropan-2-yl)oxy]-N-(1-methylsulfanylethyl)cyclohexan-1-amine
CID 156193724
[4-(Propylamino)cyclohexyl] methanesulfonate
CID 163816725
Ethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide
CID 176696587
2-methoxy-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 60920604
4-[(1-Oxothian-4-yl)amino]cyclohexan-1-ol
CID 61565213
4-(2-Ethylsulfonylethoxy)cyclohexan-1-amine
CID 62808123
4-(1-Methylsulfonylpropan-2-ylamino)cyclohexan-1-ol
CID 64630099

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)-4-methoxycyclohexan-1-amine?
The IUPAC name of N-(2-ethylsulfinylethyl)-4-methoxycyclohexan-1-amine (CID 104530215) is N-(2-ethylsulfinylethyl)-4-methoxycyclohexan-1-amine.
What is the SMILES notation for N-(2-ethylsulfinylethyl)-4-methoxycyclohexan-1-amine?
The canonical SMILES for N-(2-ethylsulfinylethyl)-4-methoxycyclohexan-1-amine is CCS(=O)CCNC1CCC(OC)CC1.
What is the InChIKey of N-(2-ethylsulfinylethyl)-4-methoxycyclohexan-1-amine?
The InChIKey is XOALROCSYNHSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-15(13)9-8-12-10-4-6-11(14-2)7-5-10/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(2-ethylsulfinylethyl)-4-methoxycyclohexan-1-amine?
N-(2-ethylsulfinylethyl)-4-methoxycyclohexan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)-4-methoxycyclohexan-1-amine is sourced from PubChem (CID 104530215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).