N-(2-prop-2-ynylsulfanylethyl)oxan-3-amine

C10H17NOS — CID 115891550

IUPACN-(2-prop-2-ynylsulfanylethyl)oxan-3-amine
SMILESC#CCSCCNC1CCCOC1
InChIInChI=1S/C10H17NOS/c1-2-7-13-8-5-11-10-4-3-6-12-9-10/h1,10-11H,3-9H2
InChIKeyHDNCIDWOXDRJBT-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.12
Rot. Bonds5

About N-(2-prop-2-ynylsulfanylethyl)oxan-3-amine

N-(2-prop-2-ynylsulfanylethyl)oxan-3-amine (PubChem CID 115891550) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is N-(2-prop-2-ynylsulfanylethyl)oxan-3-amine.

Molecular Properties

Compound NameN-(2-prop-2-ynylsulfanylethyl)oxan-3-amine
PubChem CID115891550
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC NameN-(2-prop-2-ynylsulfanylethyl)oxan-3-amine
SMILESC#CCSCCNC1CCCOC1
InChIInChI=1S/C10H17NOS/c1-2-7-13-8-5-11-10-4-3-6-12-9-10/h1,10-11H,3-9H2
InChIKeyHDNCIDWOXDRJBT-UHFFFAOYSA-N
XLogP1.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-prop-2-ynylsulfanylethyl)oxan-3-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

N-(5-methylsulfanylpentyl)oxan-3-amine
CID 104926386
N-[3-(2-methylpropylsulfanyl)propyl]oxan-3-amine
CID 115896613
3-(2-methylpropyl)-N-(2-prop-2-ynylsulfanylethyl)cyclohexan-1-amine
CID 114187361
4-(oxan-3-ylamino)butan-1-ol
CID 63363797
3-(oxan-3-ylamino)propanoic acid
CID 63363556
N-(oxan-4-ylmethyl)-2-prop-2-ynylsulfanylethanamine
CID 115685727
N-methyl-N'-(oxan-3-yl)methanediamine
CID 139447312
N-(2-ethoxyethyl)oxan-3-amine
CID 63363906
ethyl 3-(2-prop-2-ynylsulfanylethylamino)cyclohexane-1-carboxylate
CID 104879739
(3S)-N-(cyclopentylmethyl)oxan-3-amine
CID 95305960
N-(oxan-4-yl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide
CID 106428733
1-cyclohexyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 115677247

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-ynylsulfanylethyl)oxan-3-amine?
The IUPAC name of N-(2-prop-2-ynylsulfanylethyl)oxan-3-amine (CID 115891550) is N-(2-prop-2-ynylsulfanylethyl)oxan-3-amine.
What is the SMILES notation for N-(2-prop-2-ynylsulfanylethyl)oxan-3-amine?
The canonical SMILES for N-(2-prop-2-ynylsulfanylethyl)oxan-3-amine is C#CCSCCNC1CCCOC1.
What is the InChIKey of N-(2-prop-2-ynylsulfanylethyl)oxan-3-amine?
The InChIKey is HDNCIDWOXDRJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-2-7-13-8-5-11-10-4-3-6-12-9-10/h1,10-11H,3-9H2.
What are the key properties of N-(2-prop-2-ynylsulfanylethyl)oxan-3-amine?
N-(2-prop-2-ynylsulfanylethyl)oxan-3-amine has a molecular weight of 199.32 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-ynylsulfanylethyl)oxan-3-amine is sourced from PubChem (CID 115891550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).