methyl N-(2-thiophen-2-ylcyclopropyl)carbamate

C9H11NO2S — CID 110711256

IUPACmethyl N-(2-thiophen-2-ylcyclopropyl)carbamate
SMILESCOC(=O)NC1CC1c1cccs1
InChIInChI=1S/C9H11NO2S/c1-12-9(11)10-7-5-6(7)8-3-2-4-13-8/h2-4,6-7H,5H2,1H3,(H,10,11)
InChIKeyPUTHVVRWHYXKIU-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.96
Rot. Bonds2

About methyl N-(2-thiophen-2-ylcyclopropyl)carbamate

methyl N-(2-thiophen-2-ylcyclopropyl)carbamate (PubChem CID 110711256) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is methyl N-(2-thiophen-2-ylcyclopropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-thiophen-2-ylcyclopropyl)carbamate
PubChem CID110711256
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Namemethyl N-(2-thiophen-2-ylcyclopropyl)carbamate
SMILESCOC(=O)NC1CC1c1cccs1
InChIInChI=1S/C9H11NO2S/c1-12-9(11)10-7-5-6(7)8-3-2-4-13-8/h2-4,6-7H,5H2,1H3,(H,10,11)
InChIKeyPUTHVVRWHYXKIU-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl (2-(4-(thiophen-2-yl)piperidin-1-yl)ethyl)carbamate
CID 71787067
methyl N-(3-phenyl-1-thiophen-2-ylpropyl)carbamate
CID 11022135
methyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate
CID 16733729
tert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate
CID 134949716
2,2,2-trifluoroethyl N-(2-methyl-1-thiophen-2-ylpropyl)carbamate
CID 60705958
2,2,2-trifluoroethyl N-(1-thiophen-2-ylpropan-2-yl)carbamate
CID 63222193
2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 64687363
2,2,2-trifluoroethyl N-(2-methyl-2-thiophen-2-ylpropyl)carbamate
CID 78963870
N-(1-(thiophen-2-yl)propan-2-yl)cyclopropanecarboxamide
CID 45554885
Ethyl 2-(thiophen-2-yl)ethylcarbamate
CID 10867324
2-Thiophen-2-ylethylcarbamic acid
CID 15106739
methyl N-(4,5,6,7-tetrahydro-1-benzothiophen-6-yl)carbamate
CID 16638951

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-thiophen-2-ylcyclopropyl)carbamate?
The IUPAC name of methyl N-(2-thiophen-2-ylcyclopropyl)carbamate (CID 110711256) is methyl N-(2-thiophen-2-ylcyclopropyl)carbamate.
What is the SMILES notation for methyl N-(2-thiophen-2-ylcyclopropyl)carbamate?
The canonical SMILES for methyl N-(2-thiophen-2-ylcyclopropyl)carbamate is COC(=O)NC1CC1c1cccs1.
What is the InChIKey of methyl N-(2-thiophen-2-ylcyclopropyl)carbamate?
The InChIKey is PUTHVVRWHYXKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-12-9(11)10-7-5-6(7)8-3-2-4-13-8/h2-4,6-7H,5H2,1H3,(H,10,11).
What are the key properties of methyl N-(2-thiophen-2-ylcyclopropyl)carbamate?
methyl N-(2-thiophen-2-ylcyclopropyl)carbamate has a molecular weight of 197.26 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-thiophen-2-ylcyclopropyl)carbamate is sourced from PubChem (CID 110711256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).