ethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate

C14H24N4O2S — CID 104603859

IUPACethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC1CCSc1ncnn1C
InChIInChI=1S/C14H24N4O2S/c1-4-20-12(19)14(15-2)8-5-6-11(14)7-9-21-13-16-10-17-18(13)3/h10-11,15H,4-9H2,1-3H3
InChIKeyDQCDGFLRZAAXTB-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.62
Rot. Bonds7

About ethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate

ethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate (PubChem CID 104603859) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is ethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
PubChem CID104603859
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Nameethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC1CCSc1ncnn1C
InChIInChI=1S/C14H24N4O2S/c1-4-20-12(19)14(15-2)8-5-6-11(14)7-9-21-13-16-10-17-18(13)3/h10-11,15H,4-9H2,1-3H3
InChIKeyDQCDGFLRZAAXTB-UHFFFAOYSA-N
XLogP1.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate with MolForge

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Related Compounds

methyl 1-(ethylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 104603829
ethyl 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79568445
ethyl 1-(methylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylate
CID 79571539
ethyl 1-(ethylamino)-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate
CID 79587926
ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79577573
ethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate
CID 79588199
ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571764
ethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate
CID 107755206
methyl 2-[2-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79557139
1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide
CID 79582213
methyl 1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 79586715
ethyl 2-[2-(3,3-dimethylbutoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79587367

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate (CID 104603859) is ethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate is CCOC(=O)C1(NC)CCCC1CCSc1ncnn1C.
What is the InChIKey of ethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate?
The InChIKey is DQCDGFLRZAAXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-20-12(19)14(15-2)8-5-6-11(14)7-9-21-13-16-10-17-18(13)3/h10-11,15H,4-9H2,1-3H3.
What are the key properties of ethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate?
ethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate has a molecular weight of 312.44 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 104603859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).