N-(2-phenylsulfanylethyl)oxolan-3-amine

C12H17NOS — CID 63335095

IUPACN-(2-phenylsulfanylethyl)oxolan-3-amine
SMILESc1ccc(SCCNC2CCOC2)cc1
InChIInChI=1S/C12H17NOS/c1-2-4-12(5-3-1)15-9-7-13-11-6-8-14-10-11/h1-5,11,13H,6-10H2
InChIKeyVTQDTVSJOKLFEU-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.16
Rot. Bonds5

About N-(2-phenylsulfanylethyl)oxolan-3-amine

N-(2-phenylsulfanylethyl)oxolan-3-amine (PubChem CID 63335095) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)oxolan-3-amine
PubChem CID63335095
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-(2-phenylsulfanylethyl)oxolan-3-amine
SMILESc1ccc(SCCNC2CCOC2)cc1
InChIInChI=1S/C12H17NOS/c1-2-4-12(5-3-1)15-9-7-13-11-6-8-14-10-11/h1-5,11,13H,6-10H2
InChIKeyVTQDTVSJOKLFEU-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(oxolan-3-yl)-N'-phenylethane-1,2-diamine
CID 115693261
N-(3-phenoxypropyl)oxolan-3-amine
CID 63335382
N-[2-(3-chlorophenyl)sulfanylethyl]oxan-4-amine
CID 63098142
N-(2,2-diphenylethyl)oxolan-3-amine
CID 103748167
1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine
CID 60664696
N-(2-phenylsulfanylethyl)pyrrolidin-3-amine
CID 79730811
N-[2-(4-methoxyphenyl)sulfanylethyl]oxan-4-amine
CID 63100220
N-[2-(3,4-dimethylphenyl)sulfanylethyl]oxan-4-amine
CID 63100221
2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine
CID 120914703
N-(1,4-dioxan-2-ylmethyl)-2-phenylsulfanylethanamine
CID 79222543
N-(2-pyrimidin-2-ylsulfanylethyl)oxan-4-amine
CID 63098672
3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine
CID 112554477

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)oxolan-3-amine?
The IUPAC name of N-(2-phenylsulfanylethyl)oxolan-3-amine (CID 63335095) is N-(2-phenylsulfanylethyl)oxolan-3-amine.
What is the SMILES notation for N-(2-phenylsulfanylethyl)oxolan-3-amine?
The canonical SMILES for N-(2-phenylsulfanylethyl)oxolan-3-amine is c1ccc(SCCNC2CCOC2)cc1.
What is the InChIKey of N-(2-phenylsulfanylethyl)oxolan-3-amine?
The InChIKey is VTQDTVSJOKLFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-4-12(5-3-1)15-9-7-13-11-6-8-14-10-11/h1-5,11,13H,6-10H2.
What are the key properties of N-(2-phenylsulfanylethyl)oxolan-3-amine?
N-(2-phenylsulfanylethyl)oxolan-3-amine has a molecular weight of 223.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)oxolan-3-amine is sourced from PubChem (CID 63335095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).