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

C13H21N3S — CID 98775343

IUPACtrans-(1R,2R)-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-CHWSQXEVSA-N
MW251.40 g/mol
LogP2.50
Rot. Bonds4

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

trans-(1R,2R)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine (PubChem CID 98775343) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is trans-(1R,2R)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
PubChem CID98775343
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Nametrans-(1R,2R)-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-CHWSQXEVSA-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

Analyze trans-(1R,2R)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 96519508
trans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine
CID 99106889
N-methyl-2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 71988459
trans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine
CID 99106874
5-[[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98775404
5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazin-2-amine
CID 103056084
trans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[[5-tri(propan-2-yl)silyl-2-pyridinyl]methyl]cyclohexane-1,2-diamine
CID 164672685
trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol
CID 102734625
N-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 115641197
2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 99106879
trans-(1R,2R)-2-[(5-methylpyrazin-2-yl)methylamino]cyclopentan-1-ol
CID 94879143
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylcyclopropanamine
CID 103060869

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine (CID 98775343) is trans-(1R,2R)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-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 trans-(1R,2R)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is VNIICUPKSUMGCH-CHWSQXEVSA-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 trans-(1R,2R)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
trans-(1R,2R)-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 trans-(1R,2R)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 98775343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).