9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane

C16H20N4O2S2 — CID 131655186

IUPAC9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane
SMILESO=S(=O)(c1cccs1)N1CCC2(CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C16H20N4O2S2/c21-24(22,14-4-1-11-23-14)20-10-6-16(13-20)5-2-9-19(12-16)15-17-7-3-8-18-15/h1,3-4,7-8,11H,2,5-6,9-10,12-13H2
InChIKeyVRHIHZRSOFDMGN-UHFFFAOYSA-N
MW364.50 g/mol
LogP2.22
Rot. Bonds3

About 9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane

9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane (PubChem CID 131655186) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane
PubChem CID131655186
Molecular FormulaC16H20N4O2S2
Molecular Weight364.50 g/mol
Exact Mass364.10
IUPAC Name9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane
SMILESO=S(=O)(c1cccs1)N1CCC2(CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C16H20N4O2S2/c21-24(22,14-4-1-11-23-14)20-10-6-16(13-20)5-2-9-19(12-16)15-17-7-3-8-18-15/h1,3-4,7-8,11H,2,5-6,9-10,12-13H2
InChIKeyVRHIHZRSOFDMGN-UHFFFAOYSA-N
XLogP2.22
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 97450240
2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 118744483
2-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonane
CID 82038199
2-pyrimidin-2-yl-2-azaspiro[3.3]heptane
CID 118413240
pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3234054
(5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97471956
7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
CID 97472640
(5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 97483918
3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135547
1-thiophen-2-ylsulfonylpiperidine
CID 765823
[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
CID 97450078
2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole
CID 91601557

Frequently Asked Questions

What is the IUPAC name of 9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane (CID 131655186) is 9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane is O=S(=O)(c1cccs1)N1CCC2(CCCN(c3ncccn3)C2)C1.
What is the InChIKey of 9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane?
The InChIKey is VRHIHZRSOFDMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S2/c21-24(22,14-4-1-11-23-14)20-10-6-16(13-20)5-2-9-19(12-16)15-17-7-3-8-18-15/h1,3-4,7-8,11H,2,5-6,9-10,12-13H2.
What are the key properties of 9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane?
9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane has a molecular weight of 364.50 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 131655186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).