2-[2-(methylamino)cycloheptyl]sulfanylethanol

C10H21NOS — CID 64614608

IUPAC2-[2-(methylamino)cycloheptyl]sulfanylethanol
SMILESCNC1CCCCCC1SCCO
InChIInChI=1S/C10H21NOS/c1-11-9-5-3-2-4-6-10(9)13-8-7-12/h9-12H,2-8H2,1H3
InChIKeyVELRUJMDHYHIHJ-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.63
Rot. Bonds4

About 2-[2-(methylamino)cycloheptyl]sulfanylethanol

2-[2-(methylamino)cycloheptyl]sulfanylethanol (PubChem CID 64614608) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-[2-(methylamino)cycloheptyl]sulfanylethanol.

Molecular Properties

Compound Name2-[2-(methylamino)cycloheptyl]sulfanylethanol
PubChem CID64614608
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-[2-(methylamino)cycloheptyl]sulfanylethanol
SMILESCNC1CCCCCC1SCCO
InChIInChI=1S/C10H21NOS/c1-11-9-5-3-2-4-6-10(9)13-8-7-12/h9-12H,2-8H2,1H3
InChIKeyVELRUJMDHYHIHJ-UHFFFAOYSA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)cycloheptyl]sulfanylethanol?
The IUPAC name of 2-[2-(methylamino)cycloheptyl]sulfanylethanol (CID 64614608) is 2-[2-(methylamino)cycloheptyl]sulfanylethanol.
What is the SMILES notation for 2-[2-(methylamino)cycloheptyl]sulfanylethanol?
The canonical SMILES for 2-[2-(methylamino)cycloheptyl]sulfanylethanol is CNC1CCCCCC1SCCO.
What is the InChIKey of 2-[2-(methylamino)cycloheptyl]sulfanylethanol?
The InChIKey is VELRUJMDHYHIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-11-9-5-3-2-4-6-10(9)13-8-7-12/h9-12H,2-8H2,1H3.
What are the key properties of 2-[2-(methylamino)cycloheptyl]sulfanylethanol?
2-[2-(methylamino)cycloheptyl]sulfanylethanol has a molecular weight of 203.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)cycloheptyl]sulfanylethanol is sourced from PubChem (CID 64614608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).