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

C14H21N3O2S — CID 3234926

IUPAC(5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC[C@@]2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C14H21N3O2S/c1-20(18,19)17-9-4-6-14(12-17)7-10-16(11-14)13-5-2-3-8-15-13/h2-3,5,8H,4,6-7,9-12H2,1H3/t14-/m0/s1
InChIKeyGTXCWPSZTQQKNQ-AWEZNQCLSA-N
MW295.41 g/mol
LogP1.33
Rot. Bonds2

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

(5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane (PubChem CID 3234926) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is (5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane
PubChem CID3234926
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name(5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC[C@@]2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C14H21N3O2S/c1-20(18,19)17-9-4-6-14(12-17)7-10-16(11-14)13-5-2-3-8-15-13/h2-3,5,8H,4,6-7,9-12H2,1H3/t14-/m0/s1
InChIKeyGTXCWPSZTQQKNQ-AWEZNQCLSA-N
XLogP1.33
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 134073864
1-(2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
CID 134074831
1-methylsulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 47147001
7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3235527
(5R)-N,N-dimethyl-9-pyridin-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97483862
[(5S)-9-pyridin-2-yl-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97483871
(6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96580636
(6R)-2-methylsulfonyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494819
(5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 3233118
pyrazin-2-yl-[(5R)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450157
phenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3233977
7-pyridin-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 71921202

Frequently Asked Questions

What is the IUPAC name of (5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane (CID 3234926) is (5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane is CS(=O)(=O)N1CCC[C@@]2(CCN(c3ccccn3)C2)C1.
What is the InChIKey of (5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane?
The InChIKey is GTXCWPSZTQQKNQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-20(18,19)17-9-4-6-14(12-17)7-10-16(11-14)13-5-2-3-8-15-13/h2-3,5,8H,4,6-7,9-12H2,1H3/t14-/m0/s1.
What are the key properties of (5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane?
(5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane has a molecular weight of 295.41 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 3234926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).