tert-butyl-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]carbamic acid

C15H19NO2S2 — CID 146403926

IUPACtert-butyl-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]carbamic acid
SMILESCC(C)(C)N(CCc1ccc(-c2cccs2)s1)C(=O)O
InChIInChI=1S/C15H19NO2S2/c1-15(2,3)16(14(17)18)9-8-11-6-7-13(20-11)12-5-4-10-19-12/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyIBQRVDZGHHBSQH-UHFFFAOYSA-N
MW309.46 g/mol
LogP4.80
Rot. Bonds4

About tert-butyl-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]carbamic acid

tert-butyl-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]carbamic acid (PubChem CID 146403926) has the molecular formula C15H19NO2S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is tert-butyl-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]carbamic acid
PubChem CID146403926
Molecular FormulaC15H19NO2S2
Molecular Weight309.46 g/mol
Exact Mass309.09
IUPAC Nametert-butyl-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]carbamic acid
SMILESCC(C)(C)N(CCc1ccc(-c2cccs2)s1)C(=O)O
InChIInChI=1S/C15H19NO2S2/c1-15(2,3)16(14(17)18)9-8-11-6-7-13(20-11)12-5-4-10-19-12/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyIBQRVDZGHHBSQH-UHFFFAOYSA-N
XLogP4.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dithiophen-2-ylmethylcarbamic acid
CID 17951715
4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149911
(4S)-2-methyl-1-(2-sulfanylacetyl)-4-thiophen-2-ylpyrrolidin-1-ium-1-carboxylic acid
CID 56975604
(2R,4R)-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid
CID 57073182
(1S)-2-methyl-1-[2-methyl-3-(thiophene-2-carbothioylsulfanyl)propanoyl]pyrrolidin-1-ium-1-carboxylic acid
CID 57094076
(4S)-1-(2-acetylsulfanylacetyl)-2-methyl-4-thiophen-2-ylpyrrolidin-1-ium-1-carboxylic acid
CID 57210945
(2R,4S)-2-methyl-4-thiophen-2-ylpyrrolidine-1-carboxylic acid
CID 57249259
(2R)-2-methyl-4-thiophen-2-ylpyrrolidine-1-carboxylic acid
CID 57298948
Tert-butyl(2-thiophen-2-ylethyl)carbamic acid
CID 66881471
6-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 67615810
(6R)-6-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 67761871
Bis(thiophen-2-ylmethyl)carbamic acid
CID 68904269

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]carbamic acid (CID 146403926) is tert-butyl-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]carbamic acid is CC(C)(C)N(CCc1ccc(-c2cccs2)s1)C(=O)O.
What is the InChIKey of tert-butyl-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]carbamic acid?
The InChIKey is IBQRVDZGHHBSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S2/c1-15(2,3)16(14(17)18)9-8-11-6-7-13(20-11)12-5-4-10-19-12/h4-7,10H,8-9H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]carbamic acid?
tert-butyl-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]carbamic acid has a molecular weight of 309.46 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]carbamic acid is sourced from PubChem (CID 146403926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).