[1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine

C12H18N2S — CID 24703960

IUPAC[1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
SMILESCSc1cccc(N2CCC(CN)C2)c1
InChIInChI=1S/C12H18N2S/c1-15-12-4-2-3-11(7-12)14-6-5-10(8-13)9-14/h2-4,7,10H,5-6,8-9,13H2,1H3
InChIKeyKSGQTCMSWIQGJI-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.19
Rot. Bonds3

About [1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine

[1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine (PubChem CID 24703960) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is [1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
PubChem CID24703960
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name[1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
SMILESCSc1cccc(N2CCC(CN)C2)c1
InChIInChI=1S/C12H18N2S/c1-15-12-4-2-3-11(7-12)14-6-5-10(8-13)9-14/h2-4,7,10H,5-6,8-9,13H2,1H3
InChIKeyKSGQTCMSWIQGJI-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine
CID 60861118
[1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine
CID 62327372
[(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine
CID 87263242
[1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine
CID 117006052
3-butan-2-yl-1-(3-methylsulfanylphenyl)piperazine
CID 64925856
[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine
CID 61076640
8-(3-methylsulfanylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739808
2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol
CID 114796856
[3-(aminomethyl)pyrrolidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
CID 62069294
3-cyclopropyl-3-methyl-1-(3-methylsulfanylphenyl)-1,4-diazepane
CID 64943759
[1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine
CID 43114257
[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 107600716

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine (CID 24703960) is [1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine is CSc1cccc(N2CCC(CN)C2)c1.
What is the InChIKey of [1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is KSGQTCMSWIQGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-15-12-4-2-3-11(7-12)14-6-5-10(8-13)9-14/h2-4,7,10H,5-6,8-9,13H2,1H3.
What are the key properties of [1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine?
[1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 222.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 24703960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).