tert-butyl N-[1-(thiophen-3-ylmethylamino)propan-2-yl]carbamate

C13H22N2O2S — CID 107247630

IUPACtert-butyl N-[1-(thiophen-3-ylmethylamino)propan-2-yl]carbamate
SMILESCC(CNCc1ccsc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O2S/c1-10(15-12(16)17-13(2,3)4)7-14-8-11-5-6-18-9-11/h5-6,9-10,14H,7-8H2,1-4H3,(H,15,16)
InChIKeyRZTUBOYRWYHQDE-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.75
Rot. Bonds5

About tert-butyl N-[1-(thiophen-3-ylmethylamino)propan-2-yl]carbamate

tert-butyl N-[1-(thiophen-3-ylmethylamino)propan-2-yl]carbamate (PubChem CID 107247630) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is tert-butyl N-[1-(thiophen-3-ylmethylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(thiophen-3-ylmethylamino)propan-2-yl]carbamate
PubChem CID107247630
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Nametert-butyl N-[1-(thiophen-3-ylmethylamino)propan-2-yl]carbamate
SMILESCC(CNCc1ccsc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O2S/c1-10(15-12(16)17-13(2,3)4)7-14-8-11-5-6-18-9-11/h5-6,9-10,14H,7-8H2,1-4H3,(H,15,16)
InChIKeyRZTUBOYRWYHQDE-UHFFFAOYSA-N
XLogP2.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[3-[bis(thiophen-3-ylmethyl)amino]propylamino]butyl]carbamate
CID 145985280
tert-butyl (4S)-4-(thiophen-3-ylmethylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 53568662
Tert-butyl 3-[2-oxo-2-(thiophen-3-ylmethylamino)ethyl]azetidine-1-carboxylate
CID 71984961
N1-propyl-N2-(thiophen-3-ylmethyl)oxalamide
CID 25868744
N-ethyl-N'-[(thiophen-3-yl)methyl]ethanediamide
CID 25868866
N1-isopropyl-N2-(thiophen-3-ylmethyl)oxalamide
CID 25868868
N1-(tert-butyl)-N2-(thiophen-3-ylmethyl)oxalamide
CID 25868870
N-cyclopropyl-N'-[(thiophen-3-yl)methyl]ethanediamide
CID 25868872
Ethyl (thiophen-3-ylmethyl)carbamate
CID 45559646
2-acetamido-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 45796121
tert-butyl N-[(2S)-4-oxo-4-(thiophen-3-ylmethylamino)butan-2-yl]carbamate
CID 97576352
tert-butyl N-[(2S)-1-(thiophene-3-carbonylamino)propan-2-yl]carbamate
CID 99842465

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(thiophen-3-ylmethylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(thiophen-3-ylmethylamino)propan-2-yl]carbamate (CID 107247630) is tert-butyl N-[1-(thiophen-3-ylmethylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(thiophen-3-ylmethylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(thiophen-3-ylmethylamino)propan-2-yl]carbamate is CC(CNCc1ccsc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(thiophen-3-ylmethylamino)propan-2-yl]carbamate?
The InChIKey is RZTUBOYRWYHQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10(15-12(16)17-13(2,3)4)7-14-8-11-5-6-18-9-11/h5-6,9-10,14H,7-8H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[1-(thiophen-3-ylmethylamino)propan-2-yl]carbamate?
tert-butyl N-[1-(thiophen-3-ylmethylamino)propan-2-yl]carbamate has a molecular weight of 270.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(thiophen-3-ylmethylamino)propan-2-yl]carbamate is sourced from PubChem (CID 107247630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).