tert-butyl N-[3-[(2,5-dimethylthiophen-3-yl)methylamino]-2,2-difluoropropyl]carbamate

C15H24F2N2O2S — CID 107257558

IUPACtert-butyl N-[3-[(2,5-dimethylthiophen-3-yl)methylamino]-2,2-difluoropropyl]carbamate
SMILESCc1cc(CNCC(F)(F)CNC(=O)OC(C)(C)C)c(C)s1
InChIInChI=1S/C15H24F2N2O2S/c1-10-6-12(11(2)22-10)7-18-8-15(16,17)9-19-13(20)21-14(3,4)5/h6,18H,7-9H2,1-5H3,(H,19,20)
InChIKeySMNNGLCNEOOZKM-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.61
Rot. Bonds6

About tert-butyl N-[3-[(2,5-dimethylthiophen-3-yl)methylamino]-2,2-difluoropropyl]carbamate

tert-butyl N-[3-[(2,5-dimethylthiophen-3-yl)methylamino]-2,2-difluoropropyl]carbamate (PubChem CID 107257558) has the molecular formula C15H24F2N2O2S and a molecular weight of 334.43 g/mol. Its IUPAC name is tert-butyl N-[3-[(2,5-dimethylthiophen-3-yl)methylamino]-2,2-difluoropropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2,5-dimethylthiophen-3-yl)methylamino]-2,2-difluoropropyl]carbamate
PubChem CID107257558
Molecular FormulaC15H24F2N2O2S
Molecular Weight334.43 g/mol
Exact Mass334.15
IUPAC Nametert-butyl N-[3-[(2,5-dimethylthiophen-3-yl)methylamino]-2,2-difluoropropyl]carbamate
SMILESCc1cc(CNCC(F)(F)CNC(=O)OC(C)(C)C)c(C)s1
InChIInChI=1S/C15H24F2N2O2S/c1-10-6-12(11(2)22-10)7-18-8-15(16,17)9-19-13(20)21-14(3,4)5/h6,18H,7-9H2,1-5H3,(H,19,20)
InChIKeySMNNGLCNEOOZKM-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl N-[3-[5-[(1R)-1-(cyclopropylamino)ethyl]-2-(trifluoromethyl)thiophen-3-yl]propyl]carbamate
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tert-butyl carbamate;4,4-difluoro-4-phenyl-N-(thiophen-2-ylmethyl)butan-1-amine
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Tert-butyl 2-fluoro-4,5,6,8-tetrahydrothieno[2,3-c]azepine-7-carboxylate
CID 156193308
tert-butyl N-[(4-carbamimidoyl-5-fluorothiophen-2-yl)methyl]carbamate
CID 163225479
tert-butyl N-[(4-cyano-5-fluoro-2-thienyl)methyl]carbamate
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tert-butyl N-[[5-fluoro-4-[(Z)-N'-hydroxycarbamimidoyl]thiophen-2-yl]methyl]carbamate
CID 163226715
tert-butyl N-[(4,4-difluoro-6,7-dihydro-5H-thieno[2,3-c]pyridin-7-yl)methyl]carbamate
CID 171786830
tert-butyl N-[[5-fluoro-4-(N'-hydroxycarbamimidoyl)thiophen-2-yl]methyl]carbamate
CID 172712993
tert-butyl N-[(2-prop-2-enylthiophen-3-yl)methyl]carbamate
CID 72695914
2,2,2-trifluoroethyl N-[(5-methylthiophen-2-yl)methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2,5-dimethylthiophen-3-yl)methylamino]-2,2-difluoropropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2,5-dimethylthiophen-3-yl)methylamino]-2,2-difluoropropyl]carbamate (CID 107257558) is tert-butyl N-[3-[(2,5-dimethylthiophen-3-yl)methylamino]-2,2-difluoropropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2,5-dimethylthiophen-3-yl)methylamino]-2,2-difluoropropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2,5-dimethylthiophen-3-yl)methylamino]-2,2-difluoropropyl]carbamate is Cc1cc(CNCC(F)(F)CNC(=O)OC(C)(C)C)c(C)s1.
What is the InChIKey of tert-butyl N-[3-[(2,5-dimethylthiophen-3-yl)methylamino]-2,2-difluoropropyl]carbamate?
The InChIKey is SMNNGLCNEOOZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O2S/c1-10-6-12(11(2)22-10)7-18-8-15(16,17)9-19-13(20)21-14(3,4)5/h6,18H,7-9H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[3-[(2,5-dimethylthiophen-3-yl)methylamino]-2,2-difluoropropyl]carbamate?
tert-butyl N-[3-[(2,5-dimethylthiophen-3-yl)methylamino]-2,2-difluoropropyl]carbamate has a molecular weight of 334.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2,5-dimethylthiophen-3-yl)methylamino]-2,2-difluoropropyl]carbamate is sourced from PubChem (CID 107257558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).