tert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate

C12H19NO3S — CID 135134684

IUPACtert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate
SMILESCOCC(NC(=O)OC(C)(C)C)c1ccsc1
InChIInChI=1S/C12H19NO3S/c1-12(2,3)16-11(14)13-10(7-15-4)9-5-6-17-8-9/h5-6,8,10H,7H2,1-4H3,(H,13,14)
InChIKeyZXLBKXRYMOVVTO-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.96
Rot. Bonds4

About tert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate

tert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate (PubChem CID 135134684) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is tert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate
PubChem CID135134684
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Nametert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate
SMILESCOCC(NC(=O)OC(C)(C)C)c1ccsc1
InChIInChI=1S/C12H19NO3S/c1-12(2,3)16-11(14)13-10(7-15-4)9-5-6-17-8-9/h5-6,8,10H,7H2,1-4H3,(H,13,14)
InChIKeyZXLBKXRYMOVVTO-UHFFFAOYSA-N
XLogP2.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate
CID 103901749
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-3-ylpropanoate
CID 162423961
tert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate
CID 83927675
(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-3-ylpropanoic acid
CID 129366888
tert-butyl N-(3-hydroxy-1-thiophen-3-ylpropyl)carbamate;dichloromethane;[3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-3-ylpropyl] 4-methylbenzenesulfonate
CID 159349017
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-3-ylpropanoate
CID 7009122
tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
CID 134926215
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
CID 141256411
tert-butyl N-thiophen-3-ylcarbamate
CID 736476
2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid
CID 59610805
tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
CID 74220322

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate (CID 135134684) is tert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate is COCC(NC(=O)OC(C)(C)C)c1ccsc1.
What is the InChIKey of tert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate?
The InChIKey is ZXLBKXRYMOVVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-12(2,3)16-11(14)13-10(7-15-4)9-5-6-17-8-9/h5-6,8,10H,7H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate?
tert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate has a molecular weight of 257.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate is sourced from PubChem (CID 135134684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).