methyl N-[(1-thiophen-3-ylcyclopentyl)methyl]carbamate

C12H17NO2S — CID 86263744

IUPACmethyl N-[(1-thiophen-3-ylcyclopentyl)methyl]carbamate
SMILESCOC(=O)NCC1(c2ccsc2)CCCC1
InChIInChI=1S/C12H17NO2S/c1-15-11(14)13-9-12(5-2-3-6-12)10-4-7-16-8-10/h4,7-8H,2-3,5-6,9H2,1H3,(H,13,14)
InChIKeyQYOSISPUFCLKDF-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.92
Rot. Bonds3

About methyl N-[(1-thiophen-3-ylcyclopentyl)methyl]carbamate

methyl N-[(1-thiophen-3-ylcyclopentyl)methyl]carbamate (PubChem CID 86263744) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is methyl N-[(1-thiophen-3-ylcyclopentyl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1-thiophen-3-ylcyclopentyl)methyl]carbamate
PubChem CID86263744
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Namemethyl N-[(1-thiophen-3-ylcyclopentyl)methyl]carbamate
SMILESCOC(=O)NCC1(c2ccsc2)CCCC1
InChIInChI=1S/C12H17NO2S/c1-15-11(14)13-9-12(5-2-3-6-12)10-4-7-16-8-10/h4,7-8H,2-3,5-6,9H2,1H3,(H,13,14)
InChIKeyQYOSISPUFCLKDF-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methoxyethyl)-3-((1-(thiophen-3-yl)cyclopentyl)methyl)urea
CID 86263803
Ethyl (2-(thiophen-3-yl)ethyl)carbamate
CID 49670241
N1-(2-methoxyethyl)-N2-((1-(thiophen-3-yl)cyclopentyl)methyl)oxalamide
CID 86263792
2-(cyclopentylthio)-N-((1-(thiophen-3-yl)cyclopentyl)methyl)acetamide
CID 86264320
tert-butyl N-(1-thiophen-3-ylpropan-2-yl)carbamate
CID 63789218
1-Thiophen-3-ylbutan-2-ylcarbamic acid
CID 137544884
methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate
CID 30522713
Methyl ((1-(thiophen-2-yl)cyclopentyl)methyl)carbamate
CID 45559820
Methyl (2-(thiophen-3-yl)ethyl)carbamate
CID 49694836
ethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate
CID 61217697
N-methyl-1-[1-(thiophen-3-ylmethyl)cyclopentyl]methanamine
CID 62724795
N-methyl-1-[1-(2-thiophen-3-ylethyl)cyclopentyl]methanamine
CID 64085122

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1-thiophen-3-ylcyclopentyl)methyl]carbamate?
The IUPAC name of methyl N-[(1-thiophen-3-ylcyclopentyl)methyl]carbamate (CID 86263744) is methyl N-[(1-thiophen-3-ylcyclopentyl)methyl]carbamate.
What is the SMILES notation for methyl N-[(1-thiophen-3-ylcyclopentyl)methyl]carbamate?
The canonical SMILES for methyl N-[(1-thiophen-3-ylcyclopentyl)methyl]carbamate is COC(=O)NCC1(c2ccsc2)CCCC1.
What is the InChIKey of methyl N-[(1-thiophen-3-ylcyclopentyl)methyl]carbamate?
The InChIKey is QYOSISPUFCLKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-15-11(14)13-9-12(5-2-3-6-12)10-4-7-16-8-10/h4,7-8H,2-3,5-6,9H2,1H3,(H,13,14).
What are the key properties of methyl N-[(1-thiophen-3-ylcyclopentyl)methyl]carbamate?
methyl N-[(1-thiophen-3-ylcyclopentyl)methyl]carbamate has a molecular weight of 239.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1-thiophen-3-ylcyclopentyl)methyl]carbamate is sourced from PubChem (CID 86263744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).