tert-butyl N-(1-thiophen-3-ylpropan-2-yl)carbamate

C12H19NO2S — CID 63789218

IUPACtert-butyl N-(1-thiophen-3-ylpropan-2-yl)carbamate
SMILESCC(Cc1ccsc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO2S/c1-9(7-10-5-6-16-8-10)13-11(14)15-12(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,13,14)
InChIKeyKDPLZZQAMVHAJU-UHFFFAOYSA-N
MW241.36 g/mol
LogP3.20
Rot. Bonds3

About tert-butyl N-(1-thiophen-3-ylpropan-2-yl)carbamate

tert-butyl N-(1-thiophen-3-ylpropan-2-yl)carbamate (PubChem CID 63789218) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is tert-butyl N-(1-thiophen-3-ylpropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-thiophen-3-ylpropan-2-yl)carbamate
PubChem CID63789218
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Nametert-butyl N-(1-thiophen-3-ylpropan-2-yl)carbamate
SMILESCC(Cc1ccsc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO2S/c1-9(7-10-5-6-16-8-10)13-11(14)15-12(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,13,14)
InChIKeyKDPLZZQAMVHAJU-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(thiophen-3-yl)ethyl]carbamate
CID 11544076
2-(((Tert-butoxy)carbonyl)amino)-3-(thiophen-3-yl)propanoic acid
CID 4427602
Ethyl (2-(thiophen-3-yl)ethyl)carbamate
CID 49670241
Na[1a(Thiophena3ayl)propana2ayl]acetamide
CID 61150679
Methyl ((1-(thiophen-3-yl)cyclopentyl)methyl)carbamate
CID 86263744
tert-butyl (2R)-2-[2-(3-thiophen-3-ylpropanoylamino)ethyl]pyrrolidine-1-carboxylate
CID 91650328
1-methyl-1-pentan-3-yl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 94755974
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 97099246
tert-butyl N-[(2S)-1-[(2-thiophen-3-ylacetyl)amino]propan-2-yl]carbamate
CID 99842495
tert-butyl (2S)-2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 11064948
methyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate
CID 16733729
tert-butyl (2R)-2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 53469666

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-thiophen-3-ylpropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-thiophen-3-ylpropan-2-yl)carbamate (CID 63789218) is tert-butyl N-(1-thiophen-3-ylpropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-thiophen-3-ylpropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-thiophen-3-ylpropan-2-yl)carbamate is CC(Cc1ccsc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-thiophen-3-ylpropan-2-yl)carbamate?
The InChIKey is KDPLZZQAMVHAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9(7-10-5-6-16-8-10)13-11(14)15-12(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-(1-thiophen-3-ylpropan-2-yl)carbamate?
tert-butyl N-(1-thiophen-3-ylpropan-2-yl)carbamate has a molecular weight of 241.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-thiophen-3-ylpropan-2-yl)carbamate is sourced from PubChem (CID 63789218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).