2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate

C10H15NO3S — CID 79348993

IUPAC2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate
SMILESCc1cc(CNC(=O)OCCO)sc1C
InChIInChI=1S/C10H15NO3S/c1-7-5-9(15-8(7)2)6-11-10(13)14-4-3-12/h5,12H,3-4,6H2,1-2H3,(H,11,13)
InChIKeyVPDZRKQWEQYUSI-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.58
Rot. Bonds4

About 2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate

2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate (PubChem CID 79348993) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate
PubChem CID79348993
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate
SMILESCc1cc(CNC(=O)OCCO)sc1C
InChIInChI=1S/C10H15NO3S/c1-7-5-9(15-8(7)2)6-11-10(13)14-4-3-12/h5,12H,3-4,6H2,1-2H3,(H,11,13)
InChIKeyVPDZRKQWEQYUSI-UHFFFAOYSA-N
XLogP1.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate 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

2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate
CID 79348989
2-hydroxyethyl N-[(4-bromothiophen-2-yl)methyl]carbamate
CID 79348647
2-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
CID 107905367
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide
CID 65241720
2-hydroxyethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 79348723
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide
CID 65241375
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
CID 102705675
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 65241812
methyl 2-[(4,5-dimethylthiophen-2-yl)methylamino]propanoate
CID 65243717
5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 107257832
3-[(4,5-dimethylthiophen-2-yl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 66166580
4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 82832446

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate (CID 79348993) is 2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate is Cc1cc(CNC(=O)OCCO)sc1C.
What is the InChIKey of 2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate?
The InChIKey is VPDZRKQWEQYUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-7-5-9(15-8(7)2)6-11-10(13)14-4-3-12/h5,12H,3-4,6H2,1-2H3,(H,11,13).
What are the key properties of 2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate?
2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate has a molecular weight of 229.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 79348993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).