N-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine

C13H21N3S — CID 82760083

IUPACN-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
SMILESCSC1CNCC1N(C)CCc1ccncc1
InChIInChI=1S/C13H21N3S/c1-16(12-9-15-10-13(12)17-2)8-5-11-3-6-14-7-4-11/h3-4,6-7,12-13,15H,5,8-10H2,1-2H3
InChIKeyBORWLXNQKJMCLH-UHFFFAOYSA-N
MW251.40 g/mol
LogP1.26
Rot. Bonds5

About N-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine

N-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine (PubChem CID 82760083) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
PubChem CID82760083
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
SMILESCSC1CNCC1N(C)CCc1ccncc1
InChIInChI=1S/C13H21N3S/c1-16(12-9-15-10-13(12)17-2)8-5-11-3-6-14-7-4-11/h3-4,6-7,12-13,15H,5,8-10H2,1-2H3
InChIKeyBORWLXNQKJMCLH-UHFFFAOYSA-N
XLogP1.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine
CID 116679477
N-ethyl-N-(2-pyridin-4-ylethyl)azetidin-3-amine
CID 66183855
cis-(1R,3S)-N-methyl-3-methylsulfanyl-N-(2-pyridin-4-ylethyl)cyclopentan-1-amine
CID 96519458
4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol
CID 65487607
1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine
CID 60912856
N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-2-pyridin-4-ylethanamine
CID 55229589
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide
CID 61142839
N-methyl-N-(pyridin-4-ylmethyl)azetidin-3-amine
CID 62786509
N-methyl-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 82760579
3-N-methyl-1,1-dioxo-3-N-(2-pyridin-4-ylethyl)thiolane-3,4-diamine
CID 62694024
N-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]azetidin-3-amine
CID 117040828
N-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine
CID 114628277

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine (CID 82760083) is N-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine is CSC1CNCC1N(C)CCc1ccncc1.
What is the InChIKey of N-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine?
The InChIKey is BORWLXNQKJMCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-16(12-9-15-10-13(12)17-2)8-5-11-3-6-14-7-4-11/h3-4,6-7,12-13,15H,5,8-10H2,1-2H3.
What are the key properties of N-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine?
N-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine has a molecular weight of 251.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 82760083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).