2-(3-chloro-4-methoxyphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

C17H25ClN2O4S — CID 91910511

IUPAC2-(3-chloro-4-methoxyphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC12CCNCC2
InChIInChI=1S/C17H25ClN2O4S/c1-23-11-13-10-20(12-17(13)5-7-19-8-6-17)25(21,22)14-3-4-16(24-2)15(18)9-14/h3-4,9,13,19H,5-8,10-12H2,1-2H3
InChIKeySGULPXVQPXAVFM-UHFFFAOYSA-N
MW388.92 g/mol
LogP1.99
Rot. Bonds5

About 2-(3-chloro-4-methoxyphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

2-(3-chloro-4-methoxyphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 91910511) has the molecular formula C17H25ClN2O4S and a molecular weight of 388.92 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
PubChem CID91910511
Molecular FormulaC17H25ClN2O4S
Molecular Weight388.92 g/mol
Exact Mass388.12
IUPAC Name2-(3-chloro-4-methoxyphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC12CCNCC2
InChIInChI=1S/C17H25ClN2O4S/c1-23-11-13-10-20(12-17(13)5-7-19-8-6-17)25(21,22)14-3-4-16(24-2)15(18)9-14/h3-4,9,13,19H,5-8,10-12H2,1-2H3
InChIKeySGULPXVQPXAVFM-UHFFFAOYSA-N
XLogP1.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
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1-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
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N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-methylboronamidic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (CID 91910511) is 2-(3-chloro-4-methoxyphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is COCC1CN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC12CCNCC2.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is SGULPXVQPXAVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O4S/c1-23-11-13-10-20(12-17(13)5-7-19-8-6-17)25(21,22)14-3-4-16(24-2)15(18)9-14/h3-4,9,13,19H,5-8,10-12H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
2-(3-chloro-4-methoxyphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 388.92 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91910511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).