trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine

C13H20N2S — CID 99106803

IUPACtrans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine
SMILESCS[C@@H]1CC[C@@H](N(C)Cc2cccnc2)C1
InChIInChI=1S/C13H20N2S/c1-15(10-11-4-3-7-14-9-11)12-5-6-13(8-12)16-2/h3-4,7,9,12-13H,5-6,8,10H2,1-2H3/t12-,13-/m1/s1
InChIKeyMUDLPZGTKQGBCX-CHWSQXEVSA-N
MW236.38 g/mol
LogP2.80
Rot. Bonds4

About trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine

trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine (PubChem CID 99106803) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine
PubChem CID99106803
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Nametrans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine
SMILESCS[C@@H]1CC[C@@H](N(C)Cc2cccnc2)C1
InChIInChI=1S/C13H20N2S/c1-15(10-11-4-3-7-14-9-11)12-5-6-13(8-12)16-2/h3-4,7,9,12-13H,5-6,8,10H2,1-2H3/t12-,13-/m1/s1
InChIKeyMUDLPZGTKQGBCX-CHWSQXEVSA-N
XLogP2.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane
CID 161242864
4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 115150222
2-[3-[methyl(pyridin-3-ylmethyl)amino]cyclopentyl]-2,2-diphenylacetamide
CID 70303251
4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173
CID 174532487
CID 174532487
tert-butyl (3R)-3-[methyl(pyridin-3-ylmethyl)amino]pyrrolidine-1-carboxylate
CID 71647429
(11S)-11-[methyl(pyridin-3-ylmethyl)amino]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
CID 73355416
2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine
CID 64722799
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
4-[methyl(pyridin-3-ylmethyl)amino]pyrrolidin-3-ol
CID 63701594
4-[methyl(pyridin-3-ylmethyl)amino]-1-propylsulfonylpiperidine-2-carboxylic acid
CID 134073770
4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79112211

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine?
The IUPAC name of trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine (CID 99106803) is trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine is CS[C@@H]1CC[C@@H](N(C)Cc2cccnc2)C1.
What is the InChIKey of trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine?
The InChIKey is MUDLPZGTKQGBCX-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H20N2S/c1-15(10-11-4-3-7-14-9-11)12-5-6-13(8-12)16-2/h3-4,7,9,12-13H,5-6,8,10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine?
trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine has a molecular weight of 236.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 99106803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).