3-phenylsulfanylcyclobutan-1-amine

C10H13NS — CID 117033262

IUPAC3-phenylsulfanylcyclobutan-1-amine
SMILESNC1CC(Sc2ccccc2)C1
InChIInChI=1S/C10H13NS/c11-8-6-10(7-8)12-9-4-2-1-3-5-9/h1-5,8,10H,6-7,11H2
InChIKeySILJCMCYSJIDGV-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.27
Rot. Bonds2

About 3-phenylsulfanylcyclobutan-1-amine

3-phenylsulfanylcyclobutan-1-amine (PubChem CID 117033262) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 3-phenylsulfanylcyclobutan-1-amine.

Molecular Properties

Compound Name3-phenylsulfanylcyclobutan-1-amine
PubChem CID117033262
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name3-phenylsulfanylcyclobutan-1-amine
SMILESNC1CC(Sc2ccccc2)C1
InChIInChI=1S/C10H13NS/c11-8-6-10(7-8)12-9-4-2-1-3-5-9/h1-5,8,10H,6-7,11H2
InChIKeySILJCMCYSJIDGV-UHFFFAOYSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 3-phenylsulfanylcyclobutan-1-amine?
The IUPAC name of 3-phenylsulfanylcyclobutan-1-amine (CID 117033262) is 3-phenylsulfanylcyclobutan-1-amine.
What is the SMILES notation for 3-phenylsulfanylcyclobutan-1-amine?
The canonical SMILES for 3-phenylsulfanylcyclobutan-1-amine is NC1CC(Sc2ccccc2)C1.
What is the InChIKey of 3-phenylsulfanylcyclobutan-1-amine?
The InChIKey is SILJCMCYSJIDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c11-8-6-10(7-8)12-9-4-2-1-3-5-9/h1-5,8,10H,6-7,11H2.
What are the key properties of 3-phenylsulfanylcyclobutan-1-amine?
3-phenylsulfanylcyclobutan-1-amine has a molecular weight of 179.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanylcyclobutan-1-amine is sourced from PubChem (CID 117033262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).