5-methylsulfonyl-1-(thiolan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-imidazo[4,5-c]pyrazole

C10H20N4O2S2 — CID 166020144

IUPAC5-methylsulfonyl-1-(thiolan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-imidazo[4,5-c]pyrazole
SMILESCS(=O)(=O)C1NC2CNN(CC3CCCS3)C2N1
InChIInChI=1S/C10H20N4O2S2/c1-18(15,16)10-12-8-5-11-14(9(8)13-10)6-7-3-2-4-17-7/h7-13H,2-6H2,1H3
InChIKeyGQRNANJMSPODQX-UHFFFAOYSA-N
MW292.43 g/mol
LogP-1.08
Rot. Bonds3

About 5-methylsulfonyl-1-(thiolan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-imidazo[4,5-c]pyrazole

5-methylsulfonyl-1-(thiolan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-imidazo[4,5-c]pyrazole (PubChem CID 166020144) has the molecular formula C10H20N4O2S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-methylsulfonyl-1-(thiolan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-imidazo[4,5-c]pyrazole.

Molecular Properties

Compound Name5-methylsulfonyl-1-(thiolan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-imidazo[4,5-c]pyrazole
PubChem CID166020144
Molecular FormulaC10H20N4O2S2
Molecular Weight292.43 g/mol
Exact Mass292.10
IUPAC Name5-methylsulfonyl-1-(thiolan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-imidazo[4,5-c]pyrazole
SMILESCS(=O)(=O)C1NC2CNN(CC3CCCS3)C2N1
InChIInChI=1S/C10H20N4O2S2/c1-18(15,16)10-12-8-5-11-14(9(8)13-10)6-7-3-2-4-17-7/h7-13H,2-6H2,1H3
InChIKeyGQRNANJMSPODQX-UHFFFAOYSA-N
XLogP-1.08
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethyl)-1,2,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridine
CID 166020190
6-(4-methylsulfonylcyclohexyl)-1-(thiolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine
CID 166020060
2,5,5-trimethyl-1-(thiolan-2-ylmethyl)piperazine
CID 80586714
5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine
CID 156650260
2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270669
(2R)-2-ethylthiolane
CID 643409
2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83269998
6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine
CID 156650484
2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270596
1-(thiolan-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 80587098
6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine
CID 166020077
3-(thiolan-2-ylmethyl)-1H-imidazole-2-thione
CID 80585849

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-1-(thiolan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-imidazo[4,5-c]pyrazole?
The IUPAC name of 5-methylsulfonyl-1-(thiolan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-imidazo[4,5-c]pyrazole (CID 166020144) is 5-methylsulfonyl-1-(thiolan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-imidazo[4,5-c]pyrazole.
What is the SMILES notation for 5-methylsulfonyl-1-(thiolan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-imidazo[4,5-c]pyrazole?
The canonical SMILES for 5-methylsulfonyl-1-(thiolan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-imidazo[4,5-c]pyrazole is CS(=O)(=O)C1NC2CNN(CC3CCCS3)C2N1.
What is the InChIKey of 5-methylsulfonyl-1-(thiolan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-imidazo[4,5-c]pyrazole?
The InChIKey is GQRNANJMSPODQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S2/c1-18(15,16)10-12-8-5-11-14(9(8)13-10)6-7-3-2-4-17-7/h7-13H,2-6H2,1H3.
What are the key properties of 5-methylsulfonyl-1-(thiolan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-imidazo[4,5-c]pyrazole?
5-methylsulfonyl-1-(thiolan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-imidazo[4,5-c]pyrazole has a molecular weight of 292.43 g/mol, XLogP of -1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-1-(thiolan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-imidazo[4,5-c]pyrazole is sourced from PubChem (CID 166020144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).