cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine

C13H22N2S2 — CID 96519480

IUPACcis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
SMILESCCS[C@@H]1CC[C@H](N(C)Cc2csc(C)n2)C1
InChIInChI=1S/C13H22N2S2/c1-4-16-13-6-5-12(7-13)15(3)8-11-9-17-10(2)14-11/h9,12-13H,4-8H2,1-3H3/t12-,13+/m0/s1
InChIKeySPHOTXIWNLCTLH-QWHCGFSZSA-N
MW270.47 g/mol
LogP3.56
Rot. Bonds5

About cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine

cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine (PubChem CID 96519480) has the molecular formula C13H22N2S2 and a molecular weight of 270.47 g/mol. Its IUPAC name is cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
PubChem CID96519480
Molecular FormulaC13H22N2S2
Molecular Weight270.47 g/mol
Exact Mass270.12
IUPAC Namecis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
SMILESCCS[C@@H]1CC[C@H](N(C)Cc2csc(C)n2)C1
InChIInChI=1S/C13H22N2S2/c1-4-16-13-6-5-12(7-13)15(3)8-11-9-17-10(2)14-11/h9,12-13H,4-8H2,1-3H3/t12-,13+/m0/s1
InChIKeySPHOTXIWNLCTLH-QWHCGFSZSA-N
XLogP3.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine with MolForge

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Related Compounds

3-[(1R,3R)-3-ethylsulfanylcyclohexyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 97058866
2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine
CID 80998760
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine
CID 120752356
N-methyl-2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 71988459
N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide
CID 110718285
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 126762296
N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 100627468
4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrrolidin-3-ol
CID 63703954
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62418324
3-ethylsulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]cyclopentan-1-amine
CID 75439543
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
N-(3-ethylsulfanylcyclopentyl)-N,6-dimethylpyridine-3-carboxamide
CID 71993569

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine (CID 96519480) is cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine is CCS[C@@H]1CC[C@H](N(C)Cc2csc(C)n2)C1.
What is the InChIKey of cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is SPHOTXIWNLCTLH-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H22N2S2/c1-4-16-13-6-5-12(7-13)15(3)8-11-9-17-10(2)14-11/h9,12-13H,4-8H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine?
cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 270.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 96519480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).