methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate

C10H13NO2S — CID 30522713

IUPACmethyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate
SMILESCOC(=O)NCC1(c2cccs2)CC1
InChIInChI=1S/C10H13NO2S/c1-13-9(12)11-7-10(4-5-10)8-3-2-6-14-8/h2-3,6H,4-5,7H2,1H3,(H,11,12)
InChIKeyLCRFZEFQBPGKBG-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.14
Rot. Bonds3

About methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate

methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate (PubChem CID 30522713) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate
PubChem CID30522713
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Namemethyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate
SMILESCOC(=O)NCC1(c2cccs2)CC1
InChIInChI=1S/C10H13NO2S/c1-13-9(12)11-7-10(4-5-10)8-3-2-6-14-8/h2-3,6H,4-5,7H2,1H3,(H,11,12)
InChIKeyLCRFZEFQBPGKBG-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide
CID 30522244
(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide
CID 119332541
1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
CID 30522444
2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide
CID 30522406
3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide
CID 71961166
2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide
CID 30522306
1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
methyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate
CID 71806721
N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide
CID 30943585
2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide
CID 30943752
4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide
CID 119332535
1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea
CID 111440825

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate?
The IUPAC name of methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate (CID 30522713) is methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate.
What is the SMILES notation for methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate?
The canonical SMILES for methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate is COC(=O)NCC1(c2cccs2)CC1.
What is the InChIKey of methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate?
The InChIKey is LCRFZEFQBPGKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-13-9(12)11-7-10(4-5-10)8-3-2-6-14-8/h2-3,6H,4-5,7H2,1H3,(H,11,12).
What are the key properties of methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate?
methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate has a molecular weight of 211.29 g/mol, XLogP of 2.14, 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-2-ylcyclopropyl)methyl]carbamate is sourced from PubChem (CID 30522713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).