methyl-[2-(3-methylthiophen-2-yl)ethyl]carbamic acid

C9H13NO2S — CID 115171355

IUPACmethyl-[2-(3-methylthiophen-2-yl)ethyl]carbamic acid
SMILESCc1ccsc1CCN(C)C(=O)O
InChIInChI=1S/C9H13NO2S/c1-7-4-6-13-8(7)3-5-10(2)9(11)12/h4,6H,3,5H2,1-2H3,(H,11,12)
InChIKeyFAHNYUDFZMQDPC-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.21
Rot. Bonds3

About methyl-[2-(3-methylthiophen-2-yl)ethyl]carbamic acid

methyl-[2-(3-methylthiophen-2-yl)ethyl]carbamic acid (PubChem CID 115171355) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is methyl-[2-(3-methylthiophen-2-yl)ethyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[2-(3-methylthiophen-2-yl)ethyl]carbamic acid
PubChem CID115171355
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Namemethyl-[2-(3-methylthiophen-2-yl)ethyl]carbamic acid
SMILESCc1ccsc1CCN(C)C(=O)O
InChIInChI=1S/C9H13NO2S/c1-7-4-6-13-8(7)3-5-10(2)9(11)12/h4,6H,3,5H2,1-2H3,(H,11,12)
InChIKeyFAHNYUDFZMQDPC-UHFFFAOYSA-N
XLogP2.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl-[2-(3-methylthiophen-2-yl)ethyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3R)-3-thiophen-3-ylpyrrolidine-1-carboxylate
CID 164634089
Thiophen-3-ylmethyl-[(2,4,5-trifluorophenyl)methyl]carbamic acid
CID 68903867
2-(4-Fluorophenyl)ethyl-[(3-methylthiophen-2-yl)methyl]carbamic acid
CID 68906190
4-[3-(Trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid
CID 174663853
4-[5-(trifluoromethyl)thiophen-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 176274821
2,2,2-trifluoro-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 115190374
1-Azetidinecarboxylic acid, 3-(2-thienyl)-, 1,1-dimethylethyl ester
CID 165350176
4-(Thiophen-3-ylmethyl)piperidine-1-carboxylic acid
CID 21100687
6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid
CID 21325969
4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149838
4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149911
methyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 53261134

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(3-methylthiophen-2-yl)ethyl]carbamic acid?
The IUPAC name of methyl-[2-(3-methylthiophen-2-yl)ethyl]carbamic acid (CID 115171355) is methyl-[2-(3-methylthiophen-2-yl)ethyl]carbamic acid.
What is the SMILES notation for methyl-[2-(3-methylthiophen-2-yl)ethyl]carbamic acid?
The canonical SMILES for methyl-[2-(3-methylthiophen-2-yl)ethyl]carbamic acid is Cc1ccsc1CCN(C)C(=O)O.
What is the InChIKey of methyl-[2-(3-methylthiophen-2-yl)ethyl]carbamic acid?
The InChIKey is FAHNYUDFZMQDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7-4-6-13-8(7)3-5-10(2)9(11)12/h4,6H,3,5H2,1-2H3,(H,11,12).
What are the key properties of methyl-[2-(3-methylthiophen-2-yl)ethyl]carbamic acid?
methyl-[2-(3-methylthiophen-2-yl)ethyl]carbamic acid has a molecular weight of 199.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(3-methylthiophen-2-yl)ethyl]carbamic acid is sourced from PubChem (CID 115171355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).