tert-butyl N-[2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]carbamate

C15H24F2N2O2S — CID 104955524

IUPACtert-butyl N-[2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]carbamate
SMILESCc1ccsc1C(C)NCC(F)(F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H24F2N2O2S/c1-10-6-7-22-12(10)11(2)18-8-15(16,17)9-19-13(20)21-14(3,4)5/h6-7,11,18H,8-9H2,1-5H3,(H,19,20)
InChIKeyCCOVRJTUKOMYDV-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.87
Rot. Bonds6

About tert-butyl N-[2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]carbamate

tert-butyl N-[2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]carbamate (PubChem CID 104955524) 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-(3-methylthiophen-2-yl)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]carbamate
PubChem CID104955524
Molecular FormulaC15H24F2N2O2S
Molecular Weight334.43 g/mol
Exact Mass334.15
IUPAC Nametert-butyl N-[2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]carbamate
SMILESCc1ccsc1C(C)NCC(F)(F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H24F2N2O2S/c1-10-6-7-22-12(10)11(2)18-8-15(16,17)9-19-13(20)21-14(3,4)5/h6-7,11,18H,8-9H2,1-5H3,(H,19,20)
InChIKeyCCOVRJTUKOMYDV-UHFFFAOYSA-N
XLogP3.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4935536
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CID 47082433
2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]carbamate
CID 71685648
tert-butyl 4-(aminomethyl)-4H,5H,6H,7H-thieno(3,2-c)pyridine-5-carboxylate
CID 146049782
tert-butyl N-[(3R)-3-amino-3-(thiophen-2-yl)propyl]-N-methylcarbamate
CID 155970858
ethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate
CID 38402878
tert-butyl N-[(2R,3S)-1,1-difluoro-3-hydroxy-1-phenyl-4-(thiophen-2-ylmethylamino)butan-2-yl]carbamate
CID 56649320
tert-butyl N-[(2R,3R)-1,1-difluoro-3-hydroxy-1-phenyl-4-(thiophen-2-ylmethylamino)butan-2-yl]carbamate
CID 56649321
tert-butyl N-[(3R)-3-[4-[[(4-fluorophenyl)-thiophen-3-ylmethyl]amino]piperidin-1-yl]butyl]carbamate
CID 68970757
tert-butyl N-[1,1-difluoro-3-hydroxy-1-phenyl-4-(thiophen-2-ylmethylamino)butan-2-yl]carbamate
CID 76385885
Tert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]carbamate (CID 104955524) is tert-butyl N-[2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]carbamate is Cc1ccsc1C(C)NCC(F)(F)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]carbamate?
The InChIKey is CCOVRJTUKOMYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O2S/c1-10-6-7-22-12(10)11(2)18-8-15(16,17)9-19-13(20)21-14(3,4)5/h6-7,11,18H,8-9H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]carbamate?
tert-butyl N-[2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]carbamate has a molecular weight of 334.43 g/mol, XLogP of 3.87, 6 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-(3-methylthiophen-2-yl)ethylamino]propyl]carbamate is sourced from PubChem (CID 104955524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).