tert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate

C12H19N3O3S — CID 108889283

IUPACtert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCN)C(=O)Nc1cccs1
InChIInChI=1S/C12H19N3O3S/c1-12(2,3)18-11(17)15(7-6-13)10(16)14-9-5-4-8-19-9/h4-5,8H,6-7,13H2,1-3H3,(H,14,16)
InChIKeyJWONAQISVLEDNQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.48
Rot. Bonds3

About tert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate

tert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate (PubChem CID 108889283) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate
PubChem CID108889283
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Nametert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCN)C(=O)Nc1cccs1
InChIInChI=1S/C12H19N3O3S/c1-12(2,3)18-11(17)15(7-6-13)10(16)14-9-5-4-8-19-9/h4-5,8H,6-7,13H2,1-3H3,(H,14,16)
InChIKeyJWONAQISVLEDNQ-UHFFFAOYSA-N
XLogP2.48
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-((3-Methoxytetrahydrothiophen-3-yl)methyl)-3-(thiophen-2-yl)urea
CID 71804935
(S)-2-methyl-4-(methylthio)-1-[3-(2-thienyl)ureido]-2-butanol
CID 95984539
1,1,3-Trimethyl-3-[(4-methylthiophen-2-yl)carbamoyl]urea
CID 20510435
4,4-dimethyl-2-oxo-N-thiophen-2-ylimidazolidine-1-carboxamide
CID 21516047
5,5-dimethyl-2-oxo-N-thiophen-2-ylimidazolidine-1-carboxamide
CID 21516048
tert-butyl N-[(2S)-2-aminopropanoyl]-N-thiophen-2-ylcarbamate
CID 54074519
3-(Thien-2-yl)-6-isobutylamino-tetrahydro-1,3,5-triazine-2,4-dione
CID 54373699
3-Butyl-1-[2-(dimethylamino)ethyl]-1-(4-methylthiophen-2-yl)urea
CID 58662073
1-[(2S)-4-(dimethylamino)butan-2-yl]-3-thiophen-2-ylurea
CID 68382872
tert-butyl N-[carbamoyl(thiophen-2-yl)carbamoyl]-N-cyclobutylcarbamate
CID 69169202
tert-butyl N-cyclobutyl-N-(thiophen-2-ylcarbamoylcarbamoyl)carbamate
CID 69169204
tert-butyl N-carbamoyl-N-thiophen-2-ylcarbamate
CID 70407437

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate (CID 108889283) is tert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate is CC(C)(C)OC(=O)N(CCN)C(=O)Nc1cccs1.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate?
The InChIKey is JWONAQISVLEDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-12(2,3)18-11(17)15(7-6-13)10(16)14-9-5-4-8-19-9/h4-5,8H,6-7,13H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate?
tert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate has a molecular weight of 285.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate is sourced from PubChem (CID 108889283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).