phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate

C13H13NO2S — CID 60666169

IUPACphenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate
SMILESCN(Cc1ccsc1)C(=O)Oc1ccccc1
InChIInChI=1S/C13H13NO2S/c1-14(9-11-7-8-17-10-11)13(15)16-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKeyDIMOESNUYCKHHZ-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.38
Rot. Bonds3

About phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate

phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate (PubChem CID 60666169) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate.

Molecular Properties

Compound Namephenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate
PubChem CID60666169
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Namephenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate
SMILESCN(Cc1ccsc1)C(=O)Oc1ccccc1
InChIInChI=1S/C13H13NO2S/c1-14(9-11-7-8-17-10-11)13(15)16-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKeyDIMOESNUYCKHHZ-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate
CID 64592873
phenyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 60631092
phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate
CID 60655551
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate
CID 60734083
2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 43528522
2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61328793
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2,2-diphenylacetate
CID 9229252
N,2,2-trimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 39966816
phenyl N-methyl-N-prop-2-enylcarbamate
CID 66595557
[3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate
CID 13371954
3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide
CID 43528267

Frequently Asked Questions

What is the IUPAC name of phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate?
The IUPAC name of phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate (CID 60666169) is phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate.
What is the SMILES notation for phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate?
The canonical SMILES for phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate is CN(Cc1ccsc1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate?
The InChIKey is DIMOESNUYCKHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-14(9-11-7-8-17-10-11)13(15)16-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3.
What are the key properties of phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate?
phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate has a molecular weight of 247.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate is sourced from PubChem (CID 60666169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).