[2-(3-chlorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methanol

C14H19ClN2O3S — CID 131695551

IUPAC[2-(3-chlorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methanol
SMILESCN1CC(CO)CC12CN(S(=O)(=O)c1cccc(Cl)c1)C2
InChIInChI=1S/C14H19ClN2O3S/c1-16-7-11(8-18)6-14(16)9-17(10-14)21(19,20)13-4-2-3-12(15)5-13/h2-5,11,18H,6-10H2,1H3
InChIKeyMIVCOKNBDXZOMI-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.03
Rot. Bonds3

About [2-(3-chlorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methanol

[2-(3-chlorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methanol (PubChem CID 131695551) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is [2-(3-chlorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methanol.

Molecular Properties

Compound Name[2-(3-chlorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methanol
PubChem CID131695551
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name[2-(3-chlorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methanol
SMILESCN1CC(CO)CC12CN(S(=O)(=O)c1cccc(Cl)c1)C2
InChIInChI=1S/C14H19ClN2O3S/c1-16-7-11(8-18)6-14(16)9-17(10-14)21(19,20)13-4-2-3-12(15)5-13/h2-5,11,18H,6-10H2,1H3
InChIKeyMIVCOKNBDXZOMI-UHFFFAOYSA-N
XLogP1.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 114781786
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1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18074509
(3S,4S)-1-(3-chlorophenyl)sulfonyl-4-(dimethylamino)pyrrolidin-3-ol
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8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane
CID 131639072
[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971921
1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine
CID 141178417
[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62370440
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
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(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
(4aS,8aS)-7-(3-chlorophenyl)sulfonyl-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 134712055

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methanol?
The IUPAC name of [2-(3-chlorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methanol (CID 131695551) is [2-(3-chlorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methanol.
What is the SMILES notation for [2-(3-chlorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methanol?
The canonical SMILES for [2-(3-chlorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methanol is CN1CC(CO)CC12CN(S(=O)(=O)c1cccc(Cl)c1)C2.
What is the InChIKey of [2-(3-chlorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methanol?
The InChIKey is MIVCOKNBDXZOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-16-7-11(8-18)6-14(16)9-17(10-14)21(19,20)13-4-2-3-12(15)5-13/h2-5,11,18H,6-10H2,1H3.
What are the key properties of [2-(3-chlorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methanol?
[2-(3-chlorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methanol has a molecular weight of 330.84 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methanol is sourced from PubChem (CID 131695551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).