2-(3-methoxycyclohexyl)sulfinylethanamine

C9H19NO2S — CID 81174896

IUPAC2-(3-methoxycyclohexyl)sulfinylethanamine
SMILESCOC1CCCC(S(=O)CCN)C1
InChIInChI=1S/C9H19NO2S/c1-12-8-3-2-4-9(7-8)13(11)6-5-10/h8-9H,2-7,10H2,1H3
InChIKeyNVGZDTVWUKRIIV-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.65
Rot. Bonds4

About 2-(3-methoxycyclohexyl)sulfinylethanamine

2-(3-methoxycyclohexyl)sulfinylethanamine (PubChem CID 81174896) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-(3-methoxycyclohexyl)sulfinylethanamine.

Molecular Properties

Compound Name2-(3-methoxycyclohexyl)sulfinylethanamine
PubChem CID81174896
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-(3-methoxycyclohexyl)sulfinylethanamine
SMILESCOC1CCCC(S(=O)CCN)C1
InChIInChI=1S/C9H19NO2S/c1-12-8-3-2-4-9(7-8)13(11)6-5-10/h8-9H,2-7,10H2,1H3
InChIKeyNVGZDTVWUKRIIV-UHFFFAOYSA-N
XLogP0.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxycyclohexyl)sulfinylethanamine?
The IUPAC name of 2-(3-methoxycyclohexyl)sulfinylethanamine (CID 81174896) is 2-(3-methoxycyclohexyl)sulfinylethanamine.
What is the SMILES notation for 2-(3-methoxycyclohexyl)sulfinylethanamine?
The canonical SMILES for 2-(3-methoxycyclohexyl)sulfinylethanamine is COC1CCCC(S(=O)CCN)C1.
What is the InChIKey of 2-(3-methoxycyclohexyl)sulfinylethanamine?
The InChIKey is NVGZDTVWUKRIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-12-8-3-2-4-9(7-8)13(11)6-5-10/h8-9H,2-7,10H2,1H3.
What are the key properties of 2-(3-methoxycyclohexyl)sulfinylethanamine?
2-(3-methoxycyclohexyl)sulfinylethanamine has a molecular weight of 205.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxycyclohexyl)sulfinylethanamine is sourced from PubChem (CID 81174896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).