2-(2-aminocycloheptyl)sulfanylethanol

C9H19NOS — CID 64614183

IUPAC2-(2-aminocycloheptyl)sulfanylethanol
SMILESNC1CCCCCC1SCCO
InChIInChI=1S/C9H19NOS/c10-8-4-2-1-3-5-9(8)12-7-6-11/h8-9,11H,1-7,10H2
InChIKeyTWVIMPQXNSVKJN-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.37
Rot. Bonds3

About 2-(2-aminocycloheptyl)sulfanylethanol

2-(2-aminocycloheptyl)sulfanylethanol (PubChem CID 64614183) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-(2-aminocycloheptyl)sulfanylethanol.

Molecular Properties

Compound Name2-(2-aminocycloheptyl)sulfanylethanol
PubChem CID64614183
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-(2-aminocycloheptyl)sulfanylethanol
SMILESNC1CCCCCC1SCCO
InChIInChI=1S/C9H19NOS/c10-8-4-2-1-3-5-9(8)12-7-6-11/h8-9,11H,1-7,10H2
InChIKeyTWVIMPQXNSVKJN-UHFFFAOYSA-N
XLogP1.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocycloheptyl)sulfanylethanol?
The IUPAC name of 2-(2-aminocycloheptyl)sulfanylethanol (CID 64614183) is 2-(2-aminocycloheptyl)sulfanylethanol.
What is the SMILES notation for 2-(2-aminocycloheptyl)sulfanylethanol?
The canonical SMILES for 2-(2-aminocycloheptyl)sulfanylethanol is NC1CCCCCC1SCCO.
What is the InChIKey of 2-(2-aminocycloheptyl)sulfanylethanol?
The InChIKey is TWVIMPQXNSVKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c10-8-4-2-1-3-5-9(8)12-7-6-11/h8-9,11H,1-7,10H2.
What are the key properties of 2-(2-aminocycloheptyl)sulfanylethanol?
2-(2-aminocycloheptyl)sulfanylethanol has a molecular weight of 189.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocycloheptyl)sulfanylethanol is sourced from PubChem (CID 64614183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).