2-(3-methoxycyclohexyl)sulfinylpropan-1-amine

C10H21NO2S — CID 81186783

IUPAC2-(3-methoxycyclohexyl)sulfinylpropan-1-amine
SMILESCOC1CCCC(S(=O)C(C)CN)C1
InChIInChI=1S/C10H21NO2S/c1-8(7-11)14(12)10-5-3-4-9(6-10)13-2/h8-10H,3-7,11H2,1-2H3
InChIKeyYSSROYBYQXBQNU-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.04
Rot. Bonds4

About 2-(3-methoxycyclohexyl)sulfinylpropan-1-amine

2-(3-methoxycyclohexyl)sulfinylpropan-1-amine (PubChem CID 81186783) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-(3-methoxycyclohexyl)sulfinylpropan-1-amine.

Molecular Properties

Compound Name2-(3-methoxycyclohexyl)sulfinylpropan-1-amine
PubChem CID81186783
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-(3-methoxycyclohexyl)sulfinylpropan-1-amine
SMILESCOC1CCCC(S(=O)C(C)CN)C1
InChIInChI=1S/C10H21NO2S/c1-8(7-11)14(12)10-5-3-4-9(6-10)13-2/h8-10H,3-7,11H2,1-2H3
InChIKeyYSSROYBYQXBQNU-UHFFFAOYSA-N
XLogP1.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxycyclohexyl)sulfinylpropan-1-amine?
The IUPAC name of 2-(3-methoxycyclohexyl)sulfinylpropan-1-amine (CID 81186783) is 2-(3-methoxycyclohexyl)sulfinylpropan-1-amine.
What is the SMILES notation for 2-(3-methoxycyclohexyl)sulfinylpropan-1-amine?
The canonical SMILES for 2-(3-methoxycyclohexyl)sulfinylpropan-1-amine is COC1CCCC(S(=O)C(C)CN)C1.
What is the InChIKey of 2-(3-methoxycyclohexyl)sulfinylpropan-1-amine?
The InChIKey is YSSROYBYQXBQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(7-11)14(12)10-5-3-4-9(6-10)13-2/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 2-(3-methoxycyclohexyl)sulfinylpropan-1-amine?
2-(3-methoxycyclohexyl)sulfinylpropan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxycyclohexyl)sulfinylpropan-1-amine is sourced from PubChem (CID 81186783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).