(5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane

C19H23N3O2S — CID 3235151

IUPAC(5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1
InChIInChI=1S/C19H23N3O2S/c23-25(24,18-5-2-1-3-6-18)22-13-4-9-19(16-22)10-14-21(15-19)17-7-11-20-12-8-17/h1-3,5-8,11-12H,4,9-10,13-16H2/t19-/m0/s1
InChIKeySOVDEBPQOUCPEZ-IBGZPJMESA-N
MW357.48 g/mol
LogP2.76
Rot. Bonds3

About (5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane

(5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane (PubChem CID 3235151) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is (5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane
PubChem CID3235151
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name(5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1
InChIInChI=1S/C19H23N3O2S/c23-25(24,18-5-2-1-3-6-18)22-13-4-9-19(16-22)10-14-21(15-19)17-7-11-20-12-8-17/h1-3,5-8,11-12H,4,9-10,13-16H2/t19-/m0/s1
InChIKeySOVDEBPQOUCPEZ-IBGZPJMESA-N
XLogP2.76
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(benzenesulfonyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97472438
7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3235527
2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane
CID 71871364
9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 3233376
(5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane
CID 3234926
(1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235211
pyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3235542
8-(benzenesulfonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70717072
2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane
CID 82038202
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane
CID 131655186
2-ethylsulfonyl-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131643845

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane (CID 3235151) is (5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane is O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1.
What is the InChIKey of (5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane?
The InChIKey is SOVDEBPQOUCPEZ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-25(24,18-5-2-1-3-6-18)22-13-4-9-19(16-22)10-14-21(15-19)17-7-11-20-12-8-17/h1-3,5-8,11-12H,4,9-10,13-16H2/t19-/m0/s1.
What are the key properties of (5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane?
(5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane has a molecular weight of 357.48 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 3235151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).