tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate

C11H18N2O2S — CID 59708483

IUPACtert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(CN)s1
InChIInChI=1S/C11H18N2O2S/c1-11(2,3)15-10(14)13-7-9-5-4-8(6-12)16-9/h4-5H,6-7,12H2,1-3H3,(H,13,14)
InChIKeyZHQNCKZQHOWLDM-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.23
Rot. Bonds3

About tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate

tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate (PubChem CID 59708483) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
PubChem CID59708483
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nametert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(CN)s1
InChIInChI=1S/C11H18N2O2S/c1-11(2,3)15-10(14)13-7-9-5-4-8(6-12)16-9/h4-5H,6-7,12H2,1-3H3,(H,13,14)
InChIKeyZHQNCKZQHOWLDM-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[5-(2-bromoacetyl)thiophen-2-yl]methyl]carbamate
CID 168951135
tert-butyl N-[2-[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111884975
tert-butyl N-[[5-(4-chloro-3-pyridinyl)thiophen-2-yl]methyl]carbamate;bis([5-(4-chloro-3-pyridinyl)thiophen-2-yl]methanamine);dichloromethane;ethoxyethane;hydrochloride
CID 159921352
tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate
CID 139228466
tert-butyl N-[(5-thiophen-2-ylsulfanylthiophen-2-yl)methyl]carbamate
CID 130358403
methyl 2-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methyl]thiophen-2-yl]acetate
CID 103933670
tert-butyl N-[(5-thiophen-2-ylsulfanylthiophen-2-yl)methyl]carbamate;ethane
CID 145352712
tert-butyl N-[2-[[N-[(5-bromothiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111883485
tert-butyl N-[3-[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111887048
tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate
CID 107252627
tert-butyl N-[4-[(5-bromothiophen-2-yl)methylamino]-4-oxobutyl]carbamate
CID 55590483
tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate
CID 133059461

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate (CID 59708483) is tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(CN)s1.
What is the InChIKey of tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate?
The InChIKey is ZHQNCKZQHOWLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-11(2,3)15-10(14)13-7-9-5-4-8(6-12)16-9/h4-5H,6-7,12H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate?
tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate has a molecular weight of 242.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate is sourced from PubChem (CID 59708483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).