2-[3-(1-aminopropyl)thiolan-3-yl]ethanol

C9H19NOS — CID 66092179

IUPAC2-[3-(1-aminopropyl)thiolan-3-yl]ethanol
SMILESCCC(N)C1(CCO)CCSC1
InChIInChI=1S/C9H19NOS/c1-2-8(10)9(3-5-11)4-6-12-7-9/h8,11H,2-7,10H2,1H3
InChIKeyADYJZNUCWPOJNV-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.23
Rot. Bonds4

About 2-[3-(1-aminopropyl)thiolan-3-yl]ethanol

2-[3-(1-aminopropyl)thiolan-3-yl]ethanol (PubChem CID 66092179) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-[3-(1-aminopropyl)thiolan-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-(1-aminopropyl)thiolan-3-yl]ethanol
PubChem CID66092179
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-[3-(1-aminopropyl)thiolan-3-yl]ethanol
SMILESCCC(N)C1(CCO)CCSC1
InChIInChI=1S/C9H19NOS/c1-2-8(10)9(3-5-11)4-6-12-7-9/h8,11H,2-7,10H2,1H3
InChIKeyADYJZNUCWPOJNV-UHFFFAOYSA-N
XLogP1.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminopropyl)thiolan-3-yl]ethanol?
The IUPAC name of 2-[3-(1-aminopropyl)thiolan-3-yl]ethanol (CID 66092179) is 2-[3-(1-aminopropyl)thiolan-3-yl]ethanol.
What is the SMILES notation for 2-[3-(1-aminopropyl)thiolan-3-yl]ethanol?
The canonical SMILES for 2-[3-(1-aminopropyl)thiolan-3-yl]ethanol is CCC(N)C1(CCO)CCSC1.
What is the InChIKey of 2-[3-(1-aminopropyl)thiolan-3-yl]ethanol?
The InChIKey is ADYJZNUCWPOJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-2-8(10)9(3-5-11)4-6-12-7-9/h8,11H,2-7,10H2,1H3.
What are the key properties of 2-[3-(1-aminopropyl)thiolan-3-yl]ethanol?
2-[3-(1-aminopropyl)thiolan-3-yl]ethanol has a molecular weight of 189.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminopropyl)thiolan-3-yl]ethanol is sourced from PubChem (CID 66092179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).