methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate

C9H13NO3S — CID 90499737

IUPACmethyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
SMILESCOC(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C9H13NO3S/c1-9(12,6-10-8(11)13-2)7-4-3-5-14-7/h3-5,12H,6H2,1-2H3,(H,10,11)
InChIKeyLTYOGAKGMHNRQO-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.31
Rot. Bonds3

About methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate

methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate (PubChem CID 90499737) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
PubChem CID90499737
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Namemethyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
SMILESCOC(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C9H13NO3S/c1-9(12,6-10-8(11)13-2)7-4-3-5-14-7/h3-5,12H,6H2,1-2H3,(H,10,11)
InChIKeyLTYOGAKGMHNRQO-UHFFFAOYSA-N
XLogP1.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
CID 90499744
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide
CID 90499769
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide
CID 90499845
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240
2-(diethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 111441786
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
N'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 90499924
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)urea
CID 111440752
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide
CID 121085799
(E)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 96567011

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate?
The IUPAC name of methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate (CID 90499737) is methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate.
What is the SMILES notation for methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate?
The canonical SMILES for methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate is COC(=O)NCC(C)(O)c1cccs1.
What is the InChIKey of methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate?
The InChIKey is LTYOGAKGMHNRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-9(12,6-10-8(11)13-2)7-4-3-5-14-7/h3-5,12H,6H2,1-2H3,(H,10,11).
What are the key properties of methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate?
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate has a molecular weight of 215.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate is sourced from PubChem (CID 90499737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).