[2-(2-phenylsulfanylethyl)thiolan-2-yl]methanamine

C13H19NS2 — CID 83173206

IUPAC[2-(2-phenylsulfanylethyl)thiolan-2-yl]methanamine
SMILESNCC1(CCSc2ccccc2)CCCS1
InChIInChI=1S/C13H19NS2/c14-11-13(7-4-9-16-13)8-10-15-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,14H2
InChIKeyPZMKXEYFDGDKLD-UHFFFAOYSA-N
MW253.44 g/mol
LogP3.39
Rot. Bonds5

About [2-(2-phenylsulfanylethyl)thiolan-2-yl]methanamine

[2-(2-phenylsulfanylethyl)thiolan-2-yl]methanamine (PubChem CID 83173206) has the molecular formula C13H19NS2 and a molecular weight of 253.44 g/mol. Its IUPAC name is [2-(2-phenylsulfanylethyl)thiolan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(2-phenylsulfanylethyl)thiolan-2-yl]methanamine
PubChem CID83173206
Molecular FormulaC13H19NS2
Molecular Weight253.44 g/mol
Exact Mass253.10
IUPAC Name[2-(2-phenylsulfanylethyl)thiolan-2-yl]methanamine
SMILESNCC1(CCSc2ccccc2)CCCS1
InChIInChI=1S/C13H19NS2/c14-11-13(7-4-9-16-13)8-10-15-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,14H2
InChIKeyPZMKXEYFDGDKLD-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-phenylsulfanylethyl)cyclopropyl]methanamine
CID 79229107
2-(2-phenylsulfanylethyl)thiolane-2-carboxylic acid
CID 83173588
[1-(2-phenylsulfanylethyl)cyclohexyl]methanol
CID 79223958
2-[1-(bromomethyl)cyclopentyl]ethylsulfanylbenzene
CID 79223410
[4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine
CID 79224493
2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol
CID 79866781
N-methyl-1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanamine
CID 106797623
[2-[(2,3-dichlorophenyl)methyl]thiolan-2-yl]methanamine
CID 107310660
1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanone
CID 106797333
[2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine
CID 83173473
4-(chloromethyl)-4-(2-phenylsulfanylethyl)oxane
CID 79224280
5-phenylsulfanylpentan-1-amine
CID 15227684

Frequently Asked Questions

What is the IUPAC name of [2-(2-phenylsulfanylethyl)thiolan-2-yl]methanamine?
The IUPAC name of [2-(2-phenylsulfanylethyl)thiolan-2-yl]methanamine (CID 83173206) is [2-(2-phenylsulfanylethyl)thiolan-2-yl]methanamine.
What is the SMILES notation for [2-(2-phenylsulfanylethyl)thiolan-2-yl]methanamine?
The canonical SMILES for [2-(2-phenylsulfanylethyl)thiolan-2-yl]methanamine is NCC1(CCSc2ccccc2)CCCS1.
What is the InChIKey of [2-(2-phenylsulfanylethyl)thiolan-2-yl]methanamine?
The InChIKey is PZMKXEYFDGDKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS2/c14-11-13(7-4-9-16-13)8-10-15-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,14H2.
What are the key properties of [2-(2-phenylsulfanylethyl)thiolan-2-yl]methanamine?
[2-(2-phenylsulfanylethyl)thiolan-2-yl]methanamine has a molecular weight of 253.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenylsulfanylethyl)thiolan-2-yl]methanamine is sourced from PubChem (CID 83173206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).