(2R)-N-methyl-4-phenylsulfanyl-N-(pyrazin-2-ylmethyl)butan-2-amine

C16H21N3S — CID 99818984

IUPAC(2R)-N-methyl-4-phenylsulfanyl-N-(pyrazin-2-ylmethyl)butan-2-amine
SMILESC[C@H](CCSc1ccccc1)N(C)Cc1cnccn1
InChIInChI=1S/C16H21N3S/c1-14(8-11-20-16-6-4-3-5-7-16)19(2)13-15-12-17-9-10-18-15/h3-7,9-10,12,14H,8,11,13H2,1-2H3/t14-/m1/s1
InChIKeyXYMLGTRYESRJBI-CQSZACIVSA-N
MW287.43 g/mol
LogP3.48
Rot. Bonds7

About (2R)-N-methyl-4-phenylsulfanyl-N-(pyrazin-2-ylmethyl)butan-2-amine

(2R)-N-methyl-4-phenylsulfanyl-N-(pyrazin-2-ylmethyl)butan-2-amine (PubChem CID 99818984) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is (2R)-N-methyl-4-phenylsulfanyl-N-(pyrazin-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-N-methyl-4-phenylsulfanyl-N-(pyrazin-2-ylmethyl)butan-2-amine
PubChem CID99818984
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name(2R)-N-methyl-4-phenylsulfanyl-N-(pyrazin-2-ylmethyl)butan-2-amine
SMILESC[C@H](CCSc1ccccc1)N(C)Cc1cnccn1
InChIInChI=1S/C16H21N3S/c1-14(8-11-20-16-6-4-3-5-7-16)19(2)13-15-12-17-9-10-18-15/h3-7,9-10,12,14H,8,11,13H2,1-2H3/t14-/m1/s1
InChIKeyXYMLGTRYESRJBI-CQSZACIVSA-N
XLogP3.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 70659288
(2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 97087949
1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine
CID 71861048
3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 60914164
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-pyrazin-2-ylpropan-2-amine
CID 77096482
N-benzyl-1-phenyl-N-(pyrazin-2-ylmethyl)methanamine
CID 97356016
3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine
CID 99934058
2-(3-chloro-3-phenylpropyl)pyrazine
CID 64508691
N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine
CID 79319585
N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine
CID 74239331
(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 177492952
1-[methyl(pyrazin-2-ylmethyl)amino]propan-2-ol
CID 62333203

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-4-phenylsulfanyl-N-(pyrazin-2-ylmethyl)butan-2-amine?
The IUPAC name of (2R)-N-methyl-4-phenylsulfanyl-N-(pyrazin-2-ylmethyl)butan-2-amine (CID 99818984) is (2R)-N-methyl-4-phenylsulfanyl-N-(pyrazin-2-ylmethyl)butan-2-amine.
What is the SMILES notation for (2R)-N-methyl-4-phenylsulfanyl-N-(pyrazin-2-ylmethyl)butan-2-amine?
The canonical SMILES for (2R)-N-methyl-4-phenylsulfanyl-N-(pyrazin-2-ylmethyl)butan-2-amine is C[C@H](CCSc1ccccc1)N(C)Cc1cnccn1.
What is the InChIKey of (2R)-N-methyl-4-phenylsulfanyl-N-(pyrazin-2-ylmethyl)butan-2-amine?
The InChIKey is XYMLGTRYESRJBI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3S/c1-14(8-11-20-16-6-4-3-5-7-16)19(2)13-15-12-17-9-10-18-15/h3-7,9-10,12,14H,8,11,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-N-methyl-4-phenylsulfanyl-N-(pyrazin-2-ylmethyl)butan-2-amine?
(2R)-N-methyl-4-phenylsulfanyl-N-(pyrazin-2-ylmethyl)butan-2-amine has a molecular weight of 287.43 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-4-phenylsulfanyl-N-(pyrazin-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 99818984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).