2-[(2-methyloxolan-3-yl)sulfanylmethyl]prop-2-en-1-amine

C9H17NOS — CID 107754092

IUPAC2-[(2-methyloxolan-3-yl)sulfanylmethyl]prop-2-en-1-amine
SMILESC=C(CN)CSC1CCOC1C
InChIInChI=1S/C9H17NOS/c1-7(5-10)6-12-9-3-4-11-8(9)2/h8-9H,1,3-6,10H2,2H3
InChIKeyDCCQJBBAFGOFPG-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.41
Rot. Bonds4

About 2-[(2-methyloxolan-3-yl)sulfanylmethyl]prop-2-en-1-amine

2-[(2-methyloxolan-3-yl)sulfanylmethyl]prop-2-en-1-amine (PubChem CID 107754092) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 2-[(2-methyloxolan-3-yl)sulfanylmethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2-methyloxolan-3-yl)sulfanylmethyl]prop-2-en-1-amine
PubChem CID107754092
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name2-[(2-methyloxolan-3-yl)sulfanylmethyl]prop-2-en-1-amine
SMILESC=C(CN)CSC1CCOC1C
InChIInChI=1S/C9H17NOS/c1-7(5-10)6-12-9-3-4-11-8(9)2/h8-9H,1,3-6,10H2,2H3
InChIKeyDCCQJBBAFGOFPG-UHFFFAOYSA-N
XLogP1.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine
CID 58684021
2-(2-methyloxolan-3-yl)sulfanylethanol
CID 103847375
propan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate
CID 103847391
3-(2-chloroethylsulfanyl)-2-methyloxolane
CID 107746824
4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol
CID 107751769
3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide
CID 107760881
2-amino-3-(2-methyloxolan-3-yl)sulfanylpropanenitrile
CID 107754835
1-(2,6-difluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752436
2-methyl-3-(nitromethylsulfanyl)oxolane
CID 130634972
2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 107756876
2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide
CID 107755170
1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752371

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyloxolan-3-yl)sulfanylmethyl]prop-2-en-1-amine?
The IUPAC name of 2-[(2-methyloxolan-3-yl)sulfanylmethyl]prop-2-en-1-amine (CID 107754092) is 2-[(2-methyloxolan-3-yl)sulfanylmethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(2-methyloxolan-3-yl)sulfanylmethyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(2-methyloxolan-3-yl)sulfanylmethyl]prop-2-en-1-amine is C=C(CN)CSC1CCOC1C.
What is the InChIKey of 2-[(2-methyloxolan-3-yl)sulfanylmethyl]prop-2-en-1-amine?
The InChIKey is DCCQJBBAFGOFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-7(5-10)6-12-9-3-4-11-8(9)2/h8-9H,1,3-6,10H2,2H3.
What are the key properties of 2-[(2-methyloxolan-3-yl)sulfanylmethyl]prop-2-en-1-amine?
2-[(2-methyloxolan-3-yl)sulfanylmethyl]prop-2-en-1-amine has a molecular weight of 187.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyloxolan-3-yl)sulfanylmethyl]prop-2-en-1-amine is sourced from PubChem (CID 107754092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).