1-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]piperidin-4-amine

C15H22F2N2OS — CID 43234263

IUPAC1-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]piperidin-4-amine
SMILESFC(F)SCc1ccc(CNC2CCN(C3CC3)CC2)o1
InChIInChI=1S/C15H22F2N2OS/c16-15(17)21-10-14-4-3-13(20-14)9-18-11-5-7-19(8-6-11)12-1-2-12/h3-4,11-12,15,18H,1-2,5-10H2
InChIKeyPYHDSCUCBNADNR-UHFFFAOYSA-N
MW316.42 g/mol
LogP3.45
Rot. Bonds7

About 1-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]piperidin-4-amine

1-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]piperidin-4-amine (PubChem CID 43234263) has the molecular formula C15H22F2N2OS and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]piperidin-4-amine
PubChem CID43234263
Molecular FormulaC15H22F2N2OS
Molecular Weight316.42 g/mol
Exact Mass316.14
IUPAC Name1-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]piperidin-4-amine
SMILESFC(F)SCc1ccc(CNC2CCN(C3CC3)CC2)o1
InChIInChI=1S/C15H22F2N2OS/c16-15(17)21-10-14-4-3-13(20-14)9-18-11-5-7-19(8-6-11)12-1-2-12/h3-4,11-12,15,18H,1-2,5-10H2
InChIKeyPYHDSCUCBNADNR-UHFFFAOYSA-N
XLogP3.45
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]piperidin-4-amine (CID 43234263) is 1-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]piperidin-4-amine is FC(F)SCc1ccc(CNC2CCN(C3CC3)CC2)o1.
What is the InChIKey of 1-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]piperidin-4-amine?
The InChIKey is PYHDSCUCBNADNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2OS/c16-15(17)21-10-14-4-3-13(20-14)9-18-11-5-7-19(8-6-11)12-1-2-12/h3-4,11-12,15,18H,1-2,5-10H2.
What are the key properties of 1-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]piperidin-4-amine?
1-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]piperidin-4-amine has a molecular weight of 316.42 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 43234263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).