N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine

C16H22N2OS — CID 102926320

IUPACN-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1cc(C)nc(SCc2ccc(CNC(C)C)o2)c1
InChIInChI=1S/C16H22N2OS/c1-11(2)17-9-14-5-6-15(19-14)10-20-16-8-12(3)7-13(4)18-16/h5-8,11,17H,9-10H2,1-4H3
InChIKeyGXZAUPUVHHSGFM-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.08
Rot. Bonds6

About N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine

N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 102926320) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine
PubChem CID102926320
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1cc(C)nc(SCc2ccc(CNC(C)C)o2)c1
InChIInChI=1S/C16H22N2OS/c1-11(2)17-9-14-5-6-15(19-14)10-20-16-8-12(3)7-13(4)18-16/h5-8,11,17H,9-10H2,1-4H3
InChIKeyGXZAUPUVHHSGFM-UHFFFAOYSA-N
XLogP4.08
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine (CID 102926320) is N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine is Cc1cc(C)nc(SCc2ccc(CNC(C)C)o2)c1.
What is the InChIKey of N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is GXZAUPUVHHSGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11(2)17-9-14-5-6-15(19-14)10-20-16-8-12(3)7-13(4)18-16/h5-8,11,17H,9-10H2,1-4H3.
What are the key properties of N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine?
N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 102926320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).