2-methyl-N-[7-(1,6-naphthyridin-4-yl)spiro[3.5]nonan-2-yl]propane-2-sulfinamide

C21H29N3OS — CID 138577067

IUPAC2-methyl-N-[7-(1,6-naphthyridin-4-yl)spiro[3.5]nonan-2-yl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1CC2(CCC(c3ccnc4ccncc34)CC2)C1
InChIInChI=1S/C21H29N3OS/c1-20(2,3)26(25)24-16-12-21(13-16)8-4-15(5-9-21)17-6-11-23-19-7-10-22-14-18(17)19/h6-7,10-11,14-16,24H,4-5,8-9,12-13H2,1-3H3
InChIKeyFMCQEBVHBVEVRA-UHFFFAOYSA-N
MW371.55 g/mol
LogP4.49
Rot. Bonds3

About 2-methyl-N-[7-(1,6-naphthyridin-4-yl)spiro[3.5]nonan-2-yl]propane-2-sulfinamide

2-methyl-N-[7-(1,6-naphthyridin-4-yl)spiro[3.5]nonan-2-yl]propane-2-sulfinamide (PubChem CID 138577067) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is 2-methyl-N-[7-(1,6-naphthyridin-4-yl)spiro[3.5]nonan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[7-(1,6-naphthyridin-4-yl)spiro[3.5]nonan-2-yl]propane-2-sulfinamide
PubChem CID138577067
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC Name2-methyl-N-[7-(1,6-naphthyridin-4-yl)spiro[3.5]nonan-2-yl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1CC2(CCC(c3ccnc4ccncc34)CC2)C1
InChIInChI=1S/C21H29N3OS/c1-20(2,3)26(25)24-16-12-21(13-16)8-4-15(5-9-21)17-6-11-23-19-7-10-22-14-18(17)19/h6-7,10-11,14-16,24H,4-5,8-9,12-13H2,1-3H3
InChIKeyFMCQEBVHBVEVRA-UHFFFAOYSA-N
XLogP4.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[7-(1,6-naphthyridin-4-yl)spiro[3.5]nonan-2-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[7-(1,6-naphthyridin-4-yl)spiro[3.5]nonan-2-yl]propane-2-sulfinamide (CID 138577067) is 2-methyl-N-[7-(1,6-naphthyridin-4-yl)spiro[3.5]nonan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[7-(1,6-naphthyridin-4-yl)spiro[3.5]nonan-2-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[7-(1,6-naphthyridin-4-yl)spiro[3.5]nonan-2-yl]propane-2-sulfinamide is CC(C)(C)S(=O)NC1CC2(CCC(c3ccnc4ccncc34)CC2)C1.
What is the InChIKey of 2-methyl-N-[7-(1,6-naphthyridin-4-yl)spiro[3.5]nonan-2-yl]propane-2-sulfinamide?
The InChIKey is FMCQEBVHBVEVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-20(2,3)26(25)24-16-12-21(13-16)8-4-15(5-9-21)17-6-11-23-19-7-10-22-14-18(17)19/h6-7,10-11,14-16,24H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of 2-methyl-N-[7-(1,6-naphthyridin-4-yl)spiro[3.5]nonan-2-yl]propane-2-sulfinamide?
2-methyl-N-[7-(1,6-naphthyridin-4-yl)spiro[3.5]nonan-2-yl]propane-2-sulfinamide has a molecular weight of 371.55 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[7-(1,6-naphthyridin-4-yl)spiro[3.5]nonan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 138577067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).