1-(phenylsulfanylmethyl)cyclopropan-1-amine

C10H13NS — CID 11095211

IUPAC1-(phenylsulfanylmethyl)cyclopropan-1-amine
SMILESNC1(CSc2ccccc2)CC1
InChIInChI=1S/C10H13NS/c11-10(6-7-10)8-12-9-4-2-1-3-5-9/h1-5H,6-8,11H2
InChIKeyHLWUFOCSWLFONY-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.27
Rot. Bonds3

About 1-(phenylsulfanylmethyl)cyclopropan-1-amine

1-(phenylsulfanylmethyl)cyclopropan-1-amine (PubChem CID 11095211) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 1-(phenylsulfanylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(phenylsulfanylmethyl)cyclopropan-1-amine
PubChem CID11095211
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name1-(phenylsulfanylmethyl)cyclopropan-1-amine
SMILESNC1(CSc2ccccc2)CC1
InChIInChI=1S/C10H13NS/c11-10(6-7-10)8-12-9-4-2-1-3-5-9/h1-5H,6-8,11H2
InChIKeyHLWUFOCSWLFONY-UHFFFAOYSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(phenylsulfanylmethyl)cyclopropan-1-amine?
The IUPAC name of 1-(phenylsulfanylmethyl)cyclopropan-1-amine (CID 11095211) is 1-(phenylsulfanylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(phenylsulfanylmethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(phenylsulfanylmethyl)cyclopropan-1-amine is NC1(CSc2ccccc2)CC1.
What is the InChIKey of 1-(phenylsulfanylmethyl)cyclopropan-1-amine?
The InChIKey is HLWUFOCSWLFONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c11-10(6-7-10)8-12-9-4-2-1-3-5-9/h1-5H,6-8,11H2.
What are the key properties of 1-(phenylsulfanylmethyl)cyclopropan-1-amine?
1-(phenylsulfanylmethyl)cyclopropan-1-amine has a molecular weight of 179.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylsulfanylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 11095211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).