2-(3-methoxycyclohexyl)sulfonylethanamine

C9H19NO3S — CID 81174769

IUPAC2-(3-methoxycyclohexyl)sulfonylethanamine
SMILESCOC1CCCC(S(=O)(=O)CCN)C1
InChIInChI=1S/C9H19NO3S/c1-13-8-3-2-4-9(7-8)14(11,12)6-5-10/h8-9H,2-7,10H2,1H3
InChIKeyNCQYTLSAOVNSBY-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.32
Rot. Bonds4

About 2-(3-methoxycyclohexyl)sulfonylethanamine

2-(3-methoxycyclohexyl)sulfonylethanamine (PubChem CID 81174769) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-(3-methoxycyclohexyl)sulfonylethanamine.

Molecular Properties

Compound Name2-(3-methoxycyclohexyl)sulfonylethanamine
PubChem CID81174769
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-(3-methoxycyclohexyl)sulfonylethanamine
SMILESCOC1CCCC(S(=O)(=O)CCN)C1
InChIInChI=1S/C9H19NO3S/c1-13-8-3-2-4-9(7-8)14(11,12)6-5-10/h8-9H,2-7,10H2,1H3
InChIKeyNCQYTLSAOVNSBY-UHFFFAOYSA-N
XLogP0.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxycyclohexyl)sulfonylethanamine?
The IUPAC name of 2-(3-methoxycyclohexyl)sulfonylethanamine (CID 81174769) is 2-(3-methoxycyclohexyl)sulfonylethanamine.
What is the SMILES notation for 2-(3-methoxycyclohexyl)sulfonylethanamine?
The canonical SMILES for 2-(3-methoxycyclohexyl)sulfonylethanamine is COC1CCCC(S(=O)(=O)CCN)C1.
What is the InChIKey of 2-(3-methoxycyclohexyl)sulfonylethanamine?
The InChIKey is NCQYTLSAOVNSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-13-8-3-2-4-9(7-8)14(11,12)6-5-10/h8-9H,2-7,10H2,1H3.
What are the key properties of 2-(3-methoxycyclohexyl)sulfonylethanamine?
2-(3-methoxycyclohexyl)sulfonylethanamine has a molecular weight of 221.32 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxycyclohexyl)sulfonylethanamine is sourced from PubChem (CID 81174769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).