1-[2-(thietan-3-yl)phenyl]cyclopropan-1-amine

C12H15NS — CID 84778775

IUPAC1-[2-(thietan-3-yl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccccc2C2CSC2)CC1
InChIInChI=1S/C12H15NS/c13-12(5-6-12)11-4-2-1-3-10(11)9-7-14-8-9/h1-4,9H,5-8,13H2
InChIKeyFGQFIQYUUYWCFD-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.46
Rot. Bonds2

About 1-[2-(thietan-3-yl)phenyl]cyclopropan-1-amine

1-[2-(thietan-3-yl)phenyl]cyclopropan-1-amine (PubChem CID 84778775) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 1-[2-(thietan-3-yl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(thietan-3-yl)phenyl]cyclopropan-1-amine
PubChem CID84778775
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name1-[2-(thietan-3-yl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccccc2C2CSC2)CC1
InChIInChI=1S/C12H15NS/c13-12(5-6-12)11-4-2-1-3-10(11)9-7-14-8-9/h1-4,9H,5-8,13H2
InChIKeyFGQFIQYUUYWCFD-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclohexylphenyl)cyclohexan-1-amine
CID 117397261
1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine
CID 117460026
10-thiatricyclo[6.3.2.02,7]trideca-2,4,6-triene
CID 59518921
1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine
CID 117434122
1-[2-(thian-4-yloxy)phenyl]cyclopropan-1-amine
CID 115004989
1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine
CID 115005159
1-[2-(difluoromethoxy)phenyl]cyclopropan-1-amine
CID 95732347
1-[2-(thietan-3-yl)phenyl]ethanol
CID 117284888
1-(2-bromophenyl)cycloheptan-1-amine
CID 62830904
1-[2-(fluoromethyl)phenyl]cyclopropan-1-amine
CID 84764934
1-(2-bromophenyl)cyclopentan-1-amine;hydrochloride
CID 171935306
[1-(2-cyclohexylphenyl)cyclobutyl]methanamine
CID 117360932

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thietan-3-yl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(thietan-3-yl)phenyl]cyclopropan-1-amine (CID 84778775) is 1-[2-(thietan-3-yl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(thietan-3-yl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(thietan-3-yl)phenyl]cyclopropan-1-amine is NC1(c2ccccc2C2CSC2)CC1.
What is the InChIKey of 1-[2-(thietan-3-yl)phenyl]cyclopropan-1-amine?
The InChIKey is FGQFIQYUUYWCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c13-12(5-6-12)11-4-2-1-3-10(11)9-7-14-8-9/h1-4,9H,5-8,13H2.
What are the key properties of 1-[2-(thietan-3-yl)phenyl]cyclopropan-1-amine?
1-[2-(thietan-3-yl)phenyl]cyclopropan-1-amine has a molecular weight of 205.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thietan-3-yl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 84778775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).