[1-(2-phenylsulfanylethyl)cyclopropyl]methanamine

C12H17NS — CID 79229107

IUPAC[1-(2-phenylsulfanylethyl)cyclopropyl]methanamine
SMILESNCC1(CCSc2ccccc2)CC1
InChIInChI=1S/C12H17NS/c13-10-12(6-7-12)8-9-14-11-4-2-1-3-5-11/h1-5H,6-10,13H2
InChIKeyWQVOSWZVLCUNFU-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.91
Rot. Bonds5

About [1-(2-phenylsulfanylethyl)cyclopropyl]methanamine

[1-(2-phenylsulfanylethyl)cyclopropyl]methanamine (PubChem CID 79229107) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is [1-(2-phenylsulfanylethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2-phenylsulfanylethyl)cyclopropyl]methanamine
PubChem CID79229107
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name[1-(2-phenylsulfanylethyl)cyclopropyl]methanamine
SMILESNCC1(CCSc2ccccc2)CC1
InChIInChI=1S/C12H17NS/c13-10-12(6-7-12)8-9-14-11-4-2-1-3-5-11/h1-5H,6-10,13H2
InChIKeyWQVOSWZVLCUNFU-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-phenylsulfanylethyl)cyclopropyl]methanamine?
The IUPAC name of [1-(2-phenylsulfanylethyl)cyclopropyl]methanamine (CID 79229107) is [1-(2-phenylsulfanylethyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2-phenylsulfanylethyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2-phenylsulfanylethyl)cyclopropyl]methanamine is NCC1(CCSc2ccccc2)CC1.
What is the InChIKey of [1-(2-phenylsulfanylethyl)cyclopropyl]methanamine?
The InChIKey is WQVOSWZVLCUNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c13-10-12(6-7-12)8-9-14-11-4-2-1-3-5-11/h1-5H,6-10,13H2.
What are the key properties of [1-(2-phenylsulfanylethyl)cyclopropyl]methanamine?
[1-(2-phenylsulfanylethyl)cyclopropyl]methanamine has a molecular weight of 207.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenylsulfanylethyl)cyclopropyl]methanamine is sourced from PubChem (CID 79229107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).