2-(4-aminoheptan-3-ylsulfanyl)ethanol

C9H21NOS — CID 64612732

IUPAC2-(4-aminoheptan-3-ylsulfanyl)ethanol
SMILESCCCC(N)C(CC)SCCO
InChIInChI=1S/C9H21NOS/c1-3-5-8(10)9(4-2)12-7-6-11/h8-9,11H,3-7,10H2,1-2H3
InChIKeyVWORMOBOGZBUMG-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.62
Rot. Bonds7

About 2-(4-aminoheptan-3-ylsulfanyl)ethanol

2-(4-aminoheptan-3-ylsulfanyl)ethanol (PubChem CID 64612732) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is 2-(4-aminoheptan-3-ylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(4-aminoheptan-3-ylsulfanyl)ethanol
PubChem CID64612732
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name2-(4-aminoheptan-3-ylsulfanyl)ethanol
SMILESCCCC(N)C(CC)SCCO
InChIInChI=1S/C9H21NOS/c1-3-5-8(10)9(4-2)12-7-6-11/h8-9,11H,3-7,10H2,1-2H3
InChIKeyVWORMOBOGZBUMG-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoheptan-3-ylsulfanyl)ethanol?
The IUPAC name of 2-(4-aminoheptan-3-ylsulfanyl)ethanol (CID 64612732) is 2-(4-aminoheptan-3-ylsulfanyl)ethanol.
What is the SMILES notation for 2-(4-aminoheptan-3-ylsulfanyl)ethanol?
The canonical SMILES for 2-(4-aminoheptan-3-ylsulfanyl)ethanol is CCCC(N)C(CC)SCCO.
What is the InChIKey of 2-(4-aminoheptan-3-ylsulfanyl)ethanol?
The InChIKey is VWORMOBOGZBUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-3-5-8(10)9(4-2)12-7-6-11/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of 2-(4-aminoheptan-3-ylsulfanyl)ethanol?
2-(4-aminoheptan-3-ylsulfanyl)ethanol has a molecular weight of 191.34 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoheptan-3-ylsulfanyl)ethanol is sourced from PubChem (CID 64612732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).