methyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate

C15H27NO2S — CID 79654195

IUPACmethyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(SC2CCCC(C)C2)C1
InChIInChI=1S/C15H27NO2S/c1-11-5-4-6-12(9-11)19-13-7-8-15(10-13,16-2)14(17)18-3/h11-13,16H,4-10H2,1-3H3
InChIKeyPSNZEBHIQOLUDN-UHFFFAOYSA-N
MW285.45 g/mol
LogP2.98
Rot. Bonds4

About methyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate

methyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate (PubChem CID 79654195) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is methyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate
PubChem CID79654195
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Namemethyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(SC2CCCC(C)C2)C1
InChIInChI=1S/C15H27NO2S/c1-11-5-4-6-12(9-11)19-13-7-8-15(10-13,16-2)14(17)18-3/h11-13,16H,4-10H2,1-3H3
InChIKeyPSNZEBHIQOLUDN-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylcyclohexyl)sulfanyl-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79654570
3-(3-methylcyclohexyl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79634839
1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide
CID 79653484
3-(3-methylcyclohexyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79633898
methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 79653491
3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79654044
ethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate
CID 79653723
[1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol
CID 79645546
methyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate
CID 79654095
methyl 1-(cyclopropylamino)-3-(oxetan-3-ylsulfanyl)cyclopentane-1-carboxylate
CID 79656496
[1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol
CID 79640996
methyl 1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylate
CID 79634028

Frequently Asked Questions

What is the IUPAC name of methyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate (CID 79654195) is methyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate is CNC1(C(=O)OC)CCC(SC2CCCC(C)C2)C1.
What is the InChIKey of methyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate?
The InChIKey is PSNZEBHIQOLUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-11-5-4-6-12(9-11)19-13-7-8-15(10-13,16-2)14(17)18-3/h11-13,16H,4-10H2,1-3H3.
What are the key properties of methyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate?
methyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate has a molecular weight of 285.45 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate is sourced from PubChem (CID 79654195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).