tert-butyl N-(2,3-dihydrothiophen-2-ylmethyl)carbamate

C10H17NO2S — CID 71132747

IUPACtert-butyl N-(2,3-dihydrothiophen-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CC=CS1
InChIInChI=1S/C10H17NO2S/c1-10(2,3)13-9(12)11-7-8-5-4-6-14-8/h4,6,8H,5,7H2,1-3H3,(H,11,12)
InChIKeyYAMNLDRPSPZOQE-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.53
Rot. Bonds2

About tert-butyl N-(2,3-dihydrothiophen-2-ylmethyl)carbamate

tert-butyl N-(2,3-dihydrothiophen-2-ylmethyl)carbamate (PubChem CID 71132747) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is tert-butyl N-(2,3-dihydrothiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,3-dihydrothiophen-2-ylmethyl)carbamate
PubChem CID71132747
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Nametert-butyl N-(2,3-dihydrothiophen-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CC=CS1
InChIInChI=1S/C10H17NO2S/c1-10(2,3)13-9(12)11-7-8-5-4-6-14-8/h4,6,8H,5,7H2,1-3H3,(H,11,12)
InChIKeyYAMNLDRPSPZOQE-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
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tert-butyl N-(cyclobutylmethyl)carbamate
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tert-butyl N-(aziridin-2-ylmethyl)carbamate
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tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
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tert-butyl N-(4-cyclopent-3-en-1-yl-3-oxobutyl)carbamate
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tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate
CID 155904648
tert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate
CID 125489322
tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3-dihydrothiophen-2-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(2,3-dihydrothiophen-2-ylmethyl)carbamate (CID 71132747) is tert-butyl N-(2,3-dihydrothiophen-2-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,3-dihydrothiophen-2-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(2,3-dihydrothiophen-2-ylmethyl)carbamate is CC(C)(C)OC(=O)NCC1CC=CS1.
What is the InChIKey of tert-butyl N-(2,3-dihydrothiophen-2-ylmethyl)carbamate?
The InChIKey is YAMNLDRPSPZOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-10(2,3)13-9(12)11-7-8-5-4-6-14-8/h4,6,8H,5,7H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(2,3-dihydrothiophen-2-ylmethyl)carbamate?
tert-butyl N-(2,3-dihydrothiophen-2-ylmethyl)carbamate has a molecular weight of 215.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,3-dihydrothiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 71132747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).