N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine

C14H22N2S — CID 63267521

IUPACN-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(CCSc2ccccc2)C1
InChIInChI=1S/C14H22N2S/c1-15-11-13-7-8-16(12-13)9-10-17-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyHILOUKBSCIXBNP-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.32
Rot. Bonds6

About N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine

N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine (PubChem CID 63267521) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine
PubChem CID63267521
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(CCSc2ccccc2)C1
InChIInChI=1S/C14H22N2S/c1-15-11-13-7-8-16(12-13)9-10-17-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyHILOUKBSCIXBNP-UHFFFAOYSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine;hydrochloride
CID 119904979
3-ethyl-1-(2-phenylsulfanylethyl)piperidine
CID 78993201
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine
CID 79037843
[1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119915525
N-methyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]propyl]aniline
CID 55081287
1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553364
1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine
CID 79315398
3-(2-phenylsulfanylethyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927251
1-(2-phenylsulfanylethyl)pyrrolidine-3,4-diol
CID 106672594
N-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine
CID 113282005
1-[1-[2-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62511459

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine (CID 63267521) is N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine is CNCC1CCN(CCSc2ccccc2)C1.
What is the InChIKey of N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is HILOUKBSCIXBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-15-11-13-7-8-16(12-13)9-10-17-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3.
What are the key properties of N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 250.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 63267521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).