cis-(1R,2S)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine

C13H21N3S — CID 96519508

IUPACcis-(1R,2S)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCS[C@H]1CCC[C@H]1N(C)Cc1cnc(C)cn1
InChIInChI=1S/C13H21N3S/c1-10-7-15-11(8-14-10)9-16(2)12-5-4-6-13(12)17-3/h7-8,12-13H,4-6,9H2,1-3H3/t12-,13+/m1/s1
InChIKeyVNIICUPKSUMGCH-OLZOCXBDSA-N
MW251.40 g/mol
LogP2.50
Rot. Bonds4

About cis-(1R,2S)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine

cis-(1R,2S)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine (PubChem CID 96519508) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is cis-(1R,2S)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
PubChem CID96519508
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Namecis-(1R,2S)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCS[C@H]1CCC[C@H]1N(C)Cc1cnc(C)cn1
InChIInChI=1S/C13H21N3S/c1-10-7-15-11(8-14-10)9-16(2)12-5-4-6-13(12)17-3/h7-8,12-13H,4-6,9H2,1-3H3/t12-,13+/m1/s1
InChIKeyVNIICUPKSUMGCH-OLZOCXBDSA-N
XLogP2.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine (CID 96519508) is cis-(1R,2S)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine is CS[C@H]1CCC[C@H]1N(C)Cc1cnc(C)cn1.
What is the InChIKey of cis-(1R,2S)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is VNIICUPKSUMGCH-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10-7-15-11(8-14-10)9-16(2)12-5-4-6-13(12)17-3/h7-8,12-13H,4-6,9H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of cis-(1R,2S)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
cis-(1R,2S)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine has a molecular weight of 251.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 96519508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).