2-methyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonan-3-ol

C12H23NO3S — CID 137386996

IUPAC2-methyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonan-3-ol
SMILESCC1CC2(CCN(S(=O)(=O)C(C)C)CC2)C1O
InChIInChI=1S/C12H23NO3S/c1-9(2)17(15,16)13-6-4-12(5-7-13)8-10(3)11(12)14/h9-11,14H,4-8H2,1-3H3
InChIKeyYDURJXJRXNHKJU-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.21
Rot. Bonds2

About 2-methyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonan-3-ol

2-methyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonan-3-ol (PubChem CID 137386996) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-methyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonan-3-ol.

Molecular Properties

Compound Name2-methyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonan-3-ol
PubChem CID137386996
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name2-methyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonan-3-ol
SMILESCC1CC2(CCN(S(=O)(=O)C(C)C)CC2)C1O
InChIInChI=1S/C12H23NO3S/c1-9(2)17(15,16)13-6-4-12(5-7-13)8-10(3)11(12)14/h9-11,14H,4-8H2,1-3H3
InChIKeyYDURJXJRXNHKJU-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonane
CID 175627410
4-bromo-3-methyl-1-propan-2-ylsulfonylpiperidine
CID 114683726
(3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine
CID 177325459
3-methyl-1-propan-2-ylsulfonylazetidine
CID 59266025
8-propan-2-ylsulfonyl-2,8-diazaspiro[4.5]decane
CID 115276469
6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane
CID 130815616
7-[(2,3-dimethyl-2H-imidazol-3-ium-4-yl)sulfonyl]-2-propan-2-yl-7-azaspiro[3.5]nonan-3-ol
CID 153484864
3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid
CID 62217499
3-methyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135913
N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide
CID 61356516
1'-propan-2-ylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 90565854
6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide
CID 151058381

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonan-3-ol?
The IUPAC name of 2-methyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonan-3-ol (CID 137386996) is 2-methyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonan-3-ol.
What is the SMILES notation for 2-methyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonan-3-ol?
The canonical SMILES for 2-methyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonan-3-ol is CC1CC2(CCN(S(=O)(=O)C(C)C)CC2)C1O.
What is the InChIKey of 2-methyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonan-3-ol?
The InChIKey is YDURJXJRXNHKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-9(2)17(15,16)13-6-4-12(5-7-13)8-10(3)11(12)14/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 2-methyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonan-3-ol?
2-methyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonan-3-ol has a molecular weight of 261.39 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonan-3-ol is sourced from PubChem (CID 137386996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).