5-methylsulfonyl-5-azaspiro[2.4]heptan-7-ol

C7H13NO3S — CID 130918505

IUPAC5-methylsulfonyl-5-azaspiro[2.4]heptan-7-ol
SMILESCS(=O)(=O)N1CC(O)C2(CC2)C1
InChIInChI=1S/C7H13NO3S/c1-12(10,11)8-4-6(9)7(5-8)2-3-7/h6,9H,2-5H2,1H3
InChIKeyTXCVBYRZMPXUER-UHFFFAOYSA-N
MW191.25 g/mol
LogP-0.60
Rot. Bonds1

About 5-methylsulfonyl-5-azaspiro[2.4]heptan-7-ol

5-methylsulfonyl-5-azaspiro[2.4]heptan-7-ol (PubChem CID 130918505) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 5-methylsulfonyl-5-azaspiro[2.4]heptan-7-ol.

Molecular Properties

Compound Name5-methylsulfonyl-5-azaspiro[2.4]heptan-7-ol
PubChem CID130918505
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name5-methylsulfonyl-5-azaspiro[2.4]heptan-7-ol
SMILESCS(=O)(=O)N1CC(O)C2(CC2)C1
InChIInChI=1S/C7H13NO3S/c1-12(10,11)8-4-6(9)7(5-8)2-3-7/h6,9H,2-5H2,1H3
InChIKeyTXCVBYRZMPXUER-UHFFFAOYSA-N
XLogP-0.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Difluoromethylsulfonyl)-4-ethylpyrrolidin-3-ol
CID 130815618
3-(7-Hydroxy-5-azaspiro[2.4]heptane-5-yl)propyl methanesulfonate
CID 86640798
3-(7-Hydroxy-5-azaspiro[2.4]heptane-5-yl)propylmethanesulfonate
CID 86645607
1-Methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol
CID 177109205
1-(1-Methylsulfonylpyrrolidin-3-yl)ethanol
CID 84066335
5,5-Dimethyl-1-methylsulfonylpyrrolidin-3-ol
CID 115269004
7-hydroxy-N-methyl-5-azaspiro[2.4]heptane-5-sulfonamide
CID 130667150
4-Ethyl-1-methylsulfonylpyrrolidin-3-ol
CID 130693657
1-(Bromomethylsulfonyl)-4-ethylpyrrolidin-3-ol
CID 130694172
1-Cyclopropylsulfonyl-4,4-dimethylpyrrolidin-3-ol
CID 130834946
4,4-Dimethyl-1-methylsulfinylpyrrolidin-3-ol
CID 131165975

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-5-azaspiro[2.4]heptan-7-ol?
The IUPAC name of 5-methylsulfonyl-5-azaspiro[2.4]heptan-7-ol (CID 130918505) is 5-methylsulfonyl-5-azaspiro[2.4]heptan-7-ol.
What is the SMILES notation for 5-methylsulfonyl-5-azaspiro[2.4]heptan-7-ol?
The canonical SMILES for 5-methylsulfonyl-5-azaspiro[2.4]heptan-7-ol is CS(=O)(=O)N1CC(O)C2(CC2)C1.
What is the InChIKey of 5-methylsulfonyl-5-azaspiro[2.4]heptan-7-ol?
The InChIKey is TXCVBYRZMPXUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-12(10,11)8-4-6(9)7(5-8)2-3-7/h6,9H,2-5H2,1H3.
What are the key properties of 5-methylsulfonyl-5-azaspiro[2.4]heptan-7-ol?
5-methylsulfonyl-5-azaspiro[2.4]heptan-7-ol has a molecular weight of 191.25 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-5-azaspiro[2.4]heptan-7-ol is sourced from PubChem (CID 130918505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).