(3S)-N-[(2-methylsulfanylphenyl)methyl]-N-propan-2-ylpyrrolidin-3-amine

C15H24N2S — CID 11380066

IUPAC(3S)-N-[(2-methylsulfanylphenyl)methyl]-N-propan-2-ylpyrrolidin-3-amine
SMILESCSc1ccccc1CN(C(C)C)[C@H]1CCNC1
InChIInChI=1S/C15H24N2S/c1-12(2)17(14-8-9-16-10-14)11-13-6-4-5-7-15(13)18-3/h4-7,12,14,16H,8-11H2,1-3H3/t14-/m0/s1
InChIKeyFXXUQDDJEARSIP-AWEZNQCLSA-N
MW264.44 g/mol
LogP2.98
Rot. Bonds5

About (3S)-N-[(2-methylsulfanylphenyl)methyl]-N-propan-2-ylpyrrolidin-3-amine

(3S)-N-[(2-methylsulfanylphenyl)methyl]-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 11380066) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is (3S)-N-[(2-methylsulfanylphenyl)methyl]-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(2-methylsulfanylphenyl)methyl]-N-propan-2-ylpyrrolidin-3-amine
PubChem CID11380066
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name(3S)-N-[(2-methylsulfanylphenyl)methyl]-N-propan-2-ylpyrrolidin-3-amine
SMILESCSc1ccccc1CN(C(C)C)[C@H]1CCNC1
InChIInChI=1S/C15H24N2S/c1-12(2)17(14-8-9-16-10-14)11-13-6-4-5-7-15(13)18-3/h4-7,12,14,16H,8-11H2,1-3H3/t14-/m0/s1
InChIKeyFXXUQDDJEARSIP-AWEZNQCLSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-methylsulfanylphenyl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3S)-N-[(2-methylsulfanylphenyl)methyl]-N-propan-2-ylpyrrolidin-3-amine (CID 11380066) is (3S)-N-[(2-methylsulfanylphenyl)methyl]-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[(2-methylsulfanylphenyl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[(2-methylsulfanylphenyl)methyl]-N-propan-2-ylpyrrolidin-3-amine is CSc1ccccc1CN(C(C)C)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-[(2-methylsulfanylphenyl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is FXXUQDDJEARSIP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2S/c1-12(2)17(14-8-9-16-10-14)11-13-6-4-5-7-15(13)18-3/h4-7,12,14,16H,8-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (3S)-N-[(2-methylsulfanylphenyl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
(3S)-N-[(2-methylsulfanylphenyl)methyl]-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 264.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-methylsulfanylphenyl)methyl]-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 11380066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).