tert-butyl N-[2,2-difluoro-3-(1-thiophen-2-ylpropylamino)propyl]carbamate

C15H24F2N2O2S — CID 107257371

IUPACtert-butyl N-[2,2-difluoro-3-(1-thiophen-2-ylpropylamino)propyl]carbamate
SMILESCCC(NCC(F)(F)CNC(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C15H24F2N2O2S/c1-5-11(12-7-6-8-22-12)18-9-15(16,17)10-19-13(20)21-14(2,3)4/h6-8,11,18H,5,9-10H2,1-4H3,(H,19,20)
InChIKeyIANDOGZRWZDNFA-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.95
Rot. Bonds7

About tert-butyl N-[2,2-difluoro-3-(1-thiophen-2-ylpropylamino)propyl]carbamate

tert-butyl N-[2,2-difluoro-3-(1-thiophen-2-ylpropylamino)propyl]carbamate (PubChem CID 107257371) has the molecular formula C15H24F2N2O2S and a molecular weight of 334.43 g/mol. Its IUPAC name is tert-butyl N-[2,2-difluoro-3-(1-thiophen-2-ylpropylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,2-difluoro-3-(1-thiophen-2-ylpropylamino)propyl]carbamate
PubChem CID107257371
Molecular FormulaC15H24F2N2O2S
Molecular Weight334.43 g/mol
Exact Mass334.15
IUPAC Nametert-butyl N-[2,2-difluoro-3-(1-thiophen-2-ylpropylamino)propyl]carbamate
SMILESCCC(NCC(F)(F)CNC(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C15H24F2N2O2S/c1-5-11(12-7-6-8-22-12)18-9-15(16,17)10-19-13(20)21-14(2,3)4/h6-8,11,18H,5,9-10H2,1-4H3,(H,19,20)
InChIKeyIANDOGZRWZDNFA-UHFFFAOYSA-N
XLogP3.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
CID 4935536
(S)-tert-butyl 1,2-dioxo-1-(thiophen-2-ylmethylamino)heptan-3-ylcarbamate
CID 44375810
Tert-butyl (1-(thiophen-2-ylmethyl)piperidin-3-yl)carbamate
CID 46785877
tert-butyl N-[(3R)-3-amino-3-(thiophen-2-yl)propyl]-N-methylcarbamate
CID 155970858
tert-butyl N-(2,2-difluoro-3-oxo-1-thiophen-2-ylbutyl)carbamate
CID 134861948
2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate
CID 9450078
ethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate
CID 38402878
Tert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate
CID 118013200
methyl N-[3-[5-[(1R)-1-(cyclopropylamino)ethyl]-2-(trifluoromethyl)thiophen-3-yl]propyl]carbamate
CID 118313470
tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate
CID 130358243
tert-butyl N-[1,1,1-trifluoro-4,5-dioxo-5-(thiophen-2-ylmethylamino)pentan-3-yl]carbamate
CID 139817847
tert-butyl carbamate;4,4-difluoro-4-phenyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 144320280

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,2-difluoro-3-(1-thiophen-2-ylpropylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2,2-difluoro-3-(1-thiophen-2-ylpropylamino)propyl]carbamate (CID 107257371) is tert-butyl N-[2,2-difluoro-3-(1-thiophen-2-ylpropylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2,2-difluoro-3-(1-thiophen-2-ylpropylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2,2-difluoro-3-(1-thiophen-2-ylpropylamino)propyl]carbamate is CCC(NCC(F)(F)CNC(=O)OC(C)(C)C)c1cccs1.
What is the InChIKey of tert-butyl N-[2,2-difluoro-3-(1-thiophen-2-ylpropylamino)propyl]carbamate?
The InChIKey is IANDOGZRWZDNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O2S/c1-5-11(12-7-6-8-22-12)18-9-15(16,17)10-19-13(20)21-14(2,3)4/h6-8,11,18H,5,9-10H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[2,2-difluoro-3-(1-thiophen-2-ylpropylamino)propyl]carbamate?
tert-butyl N-[2,2-difluoro-3-(1-thiophen-2-ylpropylamino)propyl]carbamate has a molecular weight of 334.43 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,2-difluoro-3-(1-thiophen-2-ylpropylamino)propyl]carbamate is sourced from PubChem (CID 107257371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).