spiro[3.3]heptan-2-ylmethanesulfinamide

C8H15NOS — CID 165452938

IUPACspiro[3.3]heptan-2-ylmethanesulfinamide
SMILESNS(=O)CC1CC2(CCC2)C1
InChIInChI=1S/C8H15NOS/c9-11(10)6-7-4-8(5-7)2-1-3-8/h7H,1-6,9H2
InChIKeyISRRFBWGJPEYBQ-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.19
Rot. Bonds2

About spiro[3.3]heptan-2-ylmethanesulfinamide

spiro[3.3]heptan-2-ylmethanesulfinamide (PubChem CID 165452938) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is spiro[3.3]heptan-2-ylmethanesulfinamide.

Molecular Properties

Compound Namespiro[3.3]heptan-2-ylmethanesulfinamide
PubChem CID165452938
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Namespiro[3.3]heptan-2-ylmethanesulfinamide
SMILESNS(=O)CC1CC2(CCC2)C1
InChIInChI=1S/C8H15NOS/c9-11(10)6-7-4-8(5-7)2-1-3-8/h7H,1-6,9H2
InChIKeyISRRFBWGJPEYBQ-UHFFFAOYSA-N
XLogP1.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclobutylmethanesulfinamide
CID 143912187
2-ethylspiro[3.3]heptane
CID 123395058
spiro[3.3]heptan-2-ylmethylhydrazine
CID 130853159
2-(2,2-dimethylpropyl)spiro[3.3]heptane
CID 140612166
(2R)-2-amino-3-spiro[3.3]heptan-2-ylpropan-1-ol;hydrochloride
CID 169093167
(1-methylpyrrolidin-3-yl)methanesulfinamide
CID 154660434
2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol
CID 122240288
2-spiro[4.5]decan-9-ylacetic acid
CID 150402729
1-(2-spiro[3.3]heptan-2-ylethyl)piperidine
CID 167544315
[1-(difluoromethyl)cyclobutyl]methanesulfinamide
CID 165452874
8-(2,2-dimethylpropyl)spiro[3.5]nonane
CID 140644547
(1-methylsulfonylpiperidin-4-yl)methanesulfinamide
CID 165452712

Frequently Asked Questions

What is the IUPAC name of spiro[3.3]heptan-2-ylmethanesulfinamide?
The IUPAC name of spiro[3.3]heptan-2-ylmethanesulfinamide (CID 165452938) is spiro[3.3]heptan-2-ylmethanesulfinamide.
What is the SMILES notation for spiro[3.3]heptan-2-ylmethanesulfinamide?
The canonical SMILES for spiro[3.3]heptan-2-ylmethanesulfinamide is NS(=O)CC1CC2(CCC2)C1.
What is the InChIKey of spiro[3.3]heptan-2-ylmethanesulfinamide?
The InChIKey is ISRRFBWGJPEYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c9-11(10)6-7-4-8(5-7)2-1-3-8/h7H,1-6,9H2.
What are the key properties of spiro[3.3]heptan-2-ylmethanesulfinamide?
spiro[3.3]heptan-2-ylmethanesulfinamide has a molecular weight of 173.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3.3]heptan-2-ylmethanesulfinamide is sourced from PubChem (CID 165452938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).