tert-butyl N-propyl-N-[2-(thiophen-3-ylmethylamino)ethyl]carbamate

C15H26N2O2S — CID 103846744

IUPACtert-butyl N-propyl-N-[2-(thiophen-3-ylmethylamino)ethyl]carbamate
SMILESCCCN(CCNCc1ccsc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O2S/c1-5-8-17(14(18)19-15(2,3)4)9-7-16-11-13-6-10-20-12-13/h6,10,12,16H,5,7-9,11H2,1-4H3
InChIKeyNESHSCZKXLUZJP-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.48
Rot. Bonds7

About tert-butyl N-propyl-N-[2-(thiophen-3-ylmethylamino)ethyl]carbamate

tert-butyl N-propyl-N-[2-(thiophen-3-ylmethylamino)ethyl]carbamate (PubChem CID 103846744) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is tert-butyl N-propyl-N-[2-(thiophen-3-ylmethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-propyl-N-[2-(thiophen-3-ylmethylamino)ethyl]carbamate
PubChem CID103846744
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Nametert-butyl N-propyl-N-[2-(thiophen-3-ylmethylamino)ethyl]carbamate
SMILESCCCN(CCNCc1ccsc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O2S/c1-5-8-17(14(18)19-15(2,3)4)9-7-16-11-13-6-10-20-12-13/h6,10,12,16H,5,7-9,11H2,1-4H3
InChIKeyNESHSCZKXLUZJP-UHFFFAOYSA-N
XLogP3.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
3-[2-(Ethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one
CID 24715362
N1-propyl-N2-(thiophen-3-ylmethyl)oxalamide
CID 25868744
N-(prop-2-en-1-yl)-N'-[(thiophen-3-yl)methyl]ethanediamide
CID 25868746
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
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-propyl-N-[2-(thiophen-3-ylmethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-propyl-N-[2-(thiophen-3-ylmethylamino)ethyl]carbamate (CID 103846744) is tert-butyl N-propyl-N-[2-(thiophen-3-ylmethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-propyl-N-[2-(thiophen-3-ylmethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-propyl-N-[2-(thiophen-3-ylmethylamino)ethyl]carbamate is CCCN(CCNCc1ccsc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-propyl-N-[2-(thiophen-3-ylmethylamino)ethyl]carbamate?
The InChIKey is NESHSCZKXLUZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-8-17(14(18)19-15(2,3)4)9-7-16-11-13-6-10-20-12-13/h6,10,12,16H,5,7-9,11H2,1-4H3.
What are the key properties of tert-butyl N-propyl-N-[2-(thiophen-3-ylmethylamino)ethyl]carbamate?
tert-butyl N-propyl-N-[2-(thiophen-3-ylmethylamino)ethyl]carbamate has a molecular weight of 298.45 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-propyl-N-[2-(thiophen-3-ylmethylamino)ethyl]carbamate is sourced from PubChem (CID 103846744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).