3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine

C9H19NOS — CID 66218560

IUPAC3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine
SMILESNCCCSCCC1CCCO1
InChIInChI=1S/C9H19NOS/c10-5-2-7-12-8-4-9-3-1-6-11-9/h9H,1-8,10H2
InChIKeyYSQWNJKQSUJKEV-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.64
Rot. Bonds6

About 3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine

3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine (PubChem CID 66218560) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine
PubChem CID66218560
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine
SMILESNCCCSCCC1CCCO1
InChIInChI=1S/C9H19NOS/c10-5-2-7-12-8-4-9-3-1-6-11-9/h9H,1-8,10H2
InChIKeyYSQWNJKQSUJKEV-UHFFFAOYSA-N
XLogP1.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane
CID 57157104
5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine
CID 106495008
2-methyl-3-[3-(oxolan-2-yl)propylsulfanyl]propan-1-amine
CID 66224560
3-[3-(oxolan-2-yl)propylsulfanyl]butan-1-amine
CID 66228404
1-[3-(oxolan-2-yl)propylsulfanyl]butan-2-amine
CID 66227798
N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 65159083
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
2-(14-hexylsulfanyltetradecyl)oxane
CID 23326746
3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81013220
2-(10-ethylsulfanyldecyl)oxane
CID 23326782
2-(3-bromopropyl)oxolane
CID 15783712

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine?
The IUPAC name of 3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine (CID 66218560) is 3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine.
What is the SMILES notation for 3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine?
The canonical SMILES for 3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine is NCCCSCCC1CCCO1.
What is the InChIKey of 3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine?
The InChIKey is YSQWNJKQSUJKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c10-5-2-7-12-8-4-9-3-1-6-11-9/h9H,1-8,10H2.
What are the key properties of 3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine?
3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine has a molecular weight of 189.32 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine is sourced from PubChem (CID 66218560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).