trans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine

C11H18N2S2 — CID 99106889

IUPACtrans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine
SMILESCS[C@@H]1CCC[C@H]1N(C)Cc1cscn1
InChIInChI=1S/C11H18N2S2/c1-13(6-9-7-15-8-12-9)10-4-3-5-11(10)14-2/h7-8,10-11H,3-6H2,1-2H3/t10-,11-/m1/s1
InChIKeyUFHSOHOHLBRHHK-GHMZBOCLSA-N
MW242.41 g/mol
LogP2.86
Rot. Bonds4

About trans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine

trans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine (PubChem CID 99106889) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is trans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine
PubChem CID99106889
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Nametrans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine
SMILESCS[C@@H]1CCC[C@H]1N(C)Cc1cscn1
InChIInChI=1S/C11H18N2S2/c1-13(6-9-7-15-8-12-9)10-4-3-5-11(10)14-2/h7-8,10-11H,3-6H2,1-2H3/t10-,11-/m1/s1
InChIKeyUFHSOHOHLBRHHK-GHMZBOCLSA-N
XLogP2.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol
CID 102734625
N-methyl-2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 71988459
cis-(1R,2S)-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 96519508
N-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 80999518
2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-one
CID 62052814
trans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine
CID 99106874
4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one
CID 79120259
2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 79849133
5-[[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98775404
N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanecarboximidamide
CID 63176490
N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62575304
N-(1,3-thiazol-4-ylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine
CID 91834710

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine (CID 99106889) is trans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine is CS[C@@H]1CCC[C@H]1N(C)Cc1cscn1.
What is the InChIKey of trans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine?
The InChIKey is UFHSOHOHLBRHHK-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-13(6-9-7-15-8-12-9)10-4-3-5-11(10)14-2/h7-8,10-11H,3-6H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine?
trans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.86, 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-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 99106889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).