tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate

C11H17NO3S — CID 12071428

IUPACtert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](O)c1cccs1
InChIInChI=1S/C11H17NO3S/c1-11(2,3)15-10(14)12-7-8(13)9-5-4-6-16-9/h4-6,8,13H,7H2,1-3H3,(H,12,14)/t8-/m0/s1
InChIKeyCQGRIRKQEHAFIP-QMMMGPOBSA-N
MW243.33 g/mol
LogP2.31
Rot. Bonds3

About tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate

tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate (PubChem CID 12071428) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
PubChem CID12071428
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Nametert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](O)c1cccs1
InChIInChI=1S/C11H17NO3S/c1-11(2,3)15-10(14)12-7-8(13)9-5-4-6-16-9/h4-6,8,13H,7H2,1-3H3,(H,12,14)/t8-/m0/s1
InChIKeyCQGRIRKQEHAFIP-QMMMGPOBSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-methyl-2-[(1-thiophen-2-ylethylamino)methyl]butyl]carbamate
CID 107441231
2-[(2-methylpropan-2-yl)oxyamino]-1-thiophen-2-ylethanol
CID 82724870
tert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate
CID 107253496
tert-butyl N-(1-thiophen-2-ylethyl)carbamate
CID 63788673
tert-butyl N-(1,3-dihydroxy-1-thiophen-2-ylpropan-2-yl)carbamate
CID 75586810
tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
CID 129375181
2-(3,3-dimethylbutylamino)-1-thiophen-2-ylethanol
CID 115581040
tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate
CID 99909250
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide
CID 90500029
tert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate
CID 95933406
tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate
CID 71214616
tert-butyl N-[3-[[cyclopropyl(thiophen-2-yl)methyl]amino]propyl]carbamate
CID 103910636

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate (CID 12071428) is tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate is CC(C)(C)OC(=O)NC[C@H](O)c1cccs1.
What is the InChIKey of tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate?
The InChIKey is CQGRIRKQEHAFIP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-11(2,3)15-10(14)12-7-8(13)9-5-4-6-16-9/h4-6,8,13H,7H2,1-3H3,(H,12,14)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate?
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate has a molecular weight of 243.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate is sourced from PubChem (CID 12071428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).