tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate

C15H26N2O2S — CID 103901749

IUPACtert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate
SMILESCC(CCNC(C)c1ccsc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O2S/c1-11(17-14(18)19-15(3,4)5)6-8-16-12(2)13-7-9-20-10-13/h7,9-12,16H,6,8H2,1-5H3,(H,17,18)
InChIKeyLYYGYRRYMVOGAA-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.70
Rot. Bonds6

About tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate

tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate (PubChem CID 103901749) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate
PubChem CID103901749
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Nametert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate
SMILESCC(CCNC(C)c1ccsc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O2S/c1-11(17-14(18)19-15(3,4)5)6-8-16-12(2)13-7-9-20-10-13/h7,9-12,16H,6,8H2,1-5H3,(H,17,18)
InChIKeyLYYGYRRYMVOGAA-UHFFFAOYSA-N
XLogP3.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate
CID 103901706
tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate
CID 103901675
tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate
CID 103901716
tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate
CID 107715517
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine
CID 112568339
tert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate
CID 135134684
2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide
CID 112605150
tert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate
CID 83927675
(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-3-ylpropanoic acid
CID 129366888
tert-butyl N-[4-(4-methylpentan-2-ylamino)butan-2-yl]carbamate
CID 103901742
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]propanoic acid
CID 107247028
tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate
CID 107247097

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate (CID 103901749) is tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate is CC(CCNC(C)c1ccsc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate?
The InChIKey is LYYGYRRYMVOGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-11(17-14(18)19-15(3,4)5)6-8-16-12(2)13-7-9-20-10-13/h7,9-12,16H,6,8H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate?
tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate has a molecular weight of 298.45 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate is sourced from PubChem (CID 103901749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).