2-methyl-N-(3-methyl-8-azaspiro[4.5]decan-4-yl)butane-2-sulfinamide

C15H30N2OS — CID 123623685

IUPAC2-methyl-N-(3-methyl-8-azaspiro[4.5]decan-4-yl)butane-2-sulfinamide
SMILESCCC(C)(C)S(=O)NC1C(C)CCC12CCNCC2
InChIInChI=1S/C15H30N2OS/c1-5-14(3,4)19(18)17-13-12(2)6-7-15(13)8-10-16-11-9-15/h12-13,16-17H,5-11H2,1-4H3
InChIKeyGARJFGZXFHOLCU-UHFFFAOYSA-N
MW286.48 g/mol
LogP2.60
Rot. Bonds4

About 2-methyl-N-(3-methyl-8-azaspiro[4.5]decan-4-yl)butane-2-sulfinamide

2-methyl-N-(3-methyl-8-azaspiro[4.5]decan-4-yl)butane-2-sulfinamide (PubChem CID 123623685) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-8-azaspiro[4.5]decan-4-yl)butane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-8-azaspiro[4.5]decan-4-yl)butane-2-sulfinamide
PubChem CID123623685
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC Name2-methyl-N-(3-methyl-8-azaspiro[4.5]decan-4-yl)butane-2-sulfinamide
SMILESCCC(C)(C)S(=O)NC1C(C)CCC12CCNCC2
InChIInChI=1S/C15H30N2OS/c1-5-14(3,4)19(18)17-13-12(2)6-7-15(13)8-10-16-11-9-15/h12-13,16-17H,5-11H2,1-4H3
InChIKeyGARJFGZXFHOLCU-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyl-8-azaspiro[4.5]decan-4-yl)butane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(3-methyl-8-azaspiro[4.5]decan-4-yl)butane-2-sulfinamide (CID 123623685) is 2-methyl-N-(3-methyl-8-azaspiro[4.5]decan-4-yl)butane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(3-methyl-8-azaspiro[4.5]decan-4-yl)butane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(3-methyl-8-azaspiro[4.5]decan-4-yl)butane-2-sulfinamide is CCC(C)(C)S(=O)NC1C(C)CCC12CCNCC2.
What is the InChIKey of 2-methyl-N-(3-methyl-8-azaspiro[4.5]decan-4-yl)butane-2-sulfinamide?
The InChIKey is GARJFGZXFHOLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-5-14(3,4)19(18)17-13-12(2)6-7-15(13)8-10-16-11-9-15/h12-13,16-17H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-(3-methyl-8-azaspiro[4.5]decan-4-yl)butane-2-sulfinamide?
2-methyl-N-(3-methyl-8-azaspiro[4.5]decan-4-yl)butane-2-sulfinamide has a molecular weight of 286.48 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyl-8-azaspiro[4.5]decan-4-yl)butane-2-sulfinamide is sourced from PubChem (CID 123623685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).