(5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane

C23H30N2O4S — CID 97483473

IUPAC(5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CC[C@]3(CCCN(CCOc4ccccc4)C3)C2)cc1
InChIInChI=1S/C23H30N2O4S/c1-28-20-8-10-22(11-9-20)30(26,27)25-15-13-23(19-25)12-5-14-24(18-23)16-17-29-21-6-3-2-4-7-21/h2-4,6-11H,5,12-19H2,1H3/t23-/m0/s1
InChIKeyJQFOPZJNRARERL-QHCPKHFHSA-N
MW430.57 g/mol
LogP3.25
Rot. Bonds7

About (5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane

(5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 97483473) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is (5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane
PubChem CID97483473
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name(5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CC[C@]3(CCCN(CCOc4ccccc4)C3)C2)cc1
InChIInChI=1S/C23H30N2O4S/c1-28-20-8-10-22(11-9-20)30(26,27)25-15-13-23(19-25)12-5-14-24(18-23)16-17-29-21-6-3-2-4-7-21/h2-4,6-11H,5,12-19H2,1H3/t23-/m0/s1
InChIKeyJQFOPZJNRARERL-QHCPKHFHSA-N
XLogP3.25
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane
CID 131653378
(5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane
CID 97482730
(5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 97482676
2-(3-methoxyphenyl)-1-[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 97483457
1-(4-methoxyphenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium
CID 9036549
2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane
CID 118386146
(6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896690
4-(4-methoxyphenyl)sulfonyl-1-(2-phenoxyethyl)piperidine-4-carboxylic acid
CID 11048042
2-[(3R)-1-(4-methoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-piperidin-1-ylethanone
CID 125000131
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 26667752
2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 131662022
9-(cyclohexylmethyl)-5-(4-methoxyphenyl)sulfonyl-13-piperidin-1-ylsulfonyl-5,9,13-triazaspiro[2.11]tetradecane
CID 139492947

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane (CID 97483473) is (5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane is COc1ccc(S(=O)(=O)N2CC[C@]3(CCCN(CCOc4ccccc4)C3)C2)cc1.
What is the InChIKey of (5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is JQFOPZJNRARERL-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-28-20-8-10-22(11-9-20)30(26,27)25-15-13-23(19-25)12-5-14-24(18-23)16-17-29-21-6-3-2-4-7-21/h2-4,6-11H,5,12-19H2,1H3/t23-/m0/s1.
What are the key properties of (5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane?
(5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 430.57 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97483473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).