tert-butyl 2-(aminomethyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate

C12H18N2O2S — CID 155897007

IUPACtert-butyl 2-(aminomethyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2cc(CN)sc2C1
InChIInChI=1S/C12H18N2O2S/c1-12(2,3)16-11(15)14-6-8-4-9(5-13)17-10(8)7-14/h4H,5-7,13H2,1-3H3
InChIKeyPZECNZUKZUNFIH-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.46
Rot. Bonds1

About tert-butyl 2-(aminomethyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate

tert-butyl 2-(aminomethyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate (PubChem CID 155897007) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate
PubChem CID155897007
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Nametert-butyl 2-(aminomethyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2cc(CN)sc2C1
InChIInChI=1S/C12H18N2O2S/c1-12(2,3)16-11(15)14-6-8-4-9(5-13)17-10(8)7-14/h4H,5-7,13H2,1-3H3
InChIKeyPZECNZUKZUNFIH-UHFFFAOYSA-N
XLogP2.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2-prop-2-enylthiophen-3-yl)methyl]carbamate
CID 72695914
tert-butyl N-[3-[(2,5-dimethylthiophen-3-yl)methylamino]-2,2-difluoropropyl]carbamate
CID 107257558
2-Aminomethyl-5-tert-butoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 17796589
5-t-Butoxycarbonyl-2-methyl-4,5,6,7-tetrahydro-thieno[3,2-c]pyridine
CID 18377356
1-(1-Methylethyl)-5-(1,1-dimethylethoxy)carbonyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole
CID 18947058
1-(1-Propen-2-yl)-5-(1,1-dimethylethoxy)carbonyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole
CID 18947070
tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
CID 59708483
tert-butyl N-(4,6-dihydrothieno[2,3-c]pyrrol-5-yl)-N-methylcarbamate
CID 66880308
Tert-butyl 8-[(3-methyl-2-thienyl)methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 68952905
2-Bromo-4-methyl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylic acid tert-butyl ester
CID 69863825
4-Methyl-2-tributylstannanyl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylic Acid, Tert-Butyl Ester
CID 69987736
2,2-Dimethyl-1-(2-methyl-4,6-dihydrothieno[2,3-c]pyrrol-5-yl)propan-1-one
CID 70793111

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate?
The IUPAC name of tert-butyl 2-(aminomethyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate (CID 155897007) is tert-butyl 2-(aminomethyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate?
The canonical SMILES for tert-butyl 2-(aminomethyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate is CC(C)(C)OC(=O)N1Cc2cc(CN)sc2C1.
What is the InChIKey of tert-butyl 2-(aminomethyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate?
The InChIKey is PZECNZUKZUNFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-12(2,3)16-11(15)14-6-8-4-9(5-13)17-10(8)7-14/h4H,5-7,13H2,1-3H3.
What are the key properties of tert-butyl 2-(aminomethyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate?
tert-butyl 2-(aminomethyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate is sourced from PubChem (CID 155897007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).