2-cyclopentyl-5-(piperidin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide

C13H25N3O2S — CID 84814080

IUPAC2-cyclopentyl-5-(piperidin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)N(CC2CCNCC2)CCN1C1CCCC1
InChIInChI=1S/C13H25N3O2S/c17-19(18)15(11-12-5-7-14-8-6-12)9-10-16(19)13-3-1-2-4-13/h12-14H,1-11H2
InChIKeyOVKCWTSMVOGBCC-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.79
Rot. Bonds3

About 2-cyclopentyl-5-(piperidin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide

2-cyclopentyl-5-(piperidin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 84814080) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-cyclopentyl-5-(piperidin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-cyclopentyl-5-(piperidin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID84814080
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name2-cyclopentyl-5-(piperidin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)N(CC2CCNCC2)CCN1C1CCCC1
InChIInChI=1S/C13H25N3O2S/c17-19(18)15(11-12-5-7-14-8-6-12)9-10-16(19)13-3-1-2-4-13/h12-14H,1-11H2
InChIKeyOVKCWTSMVOGBCC-UHFFFAOYSA-N
XLogP0.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrrolidin-3-ylmethyl)-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 84814050
2-[(3S)-pyrrolidin-3-yl]-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 129410504
7,7-dimethyl-2-(piperidin-4-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 115101135
2-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]-1,2,6-thiadiazinane 1,1-dioxide
CID 129409583
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide
CID 103655491
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
3-methyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 170263293
4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine
CID 61244264
1-ethylimino-4-(piperidin-4-ylmethyl)-1,4-thiazinane 1-oxide
CID 165137094
1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
CID 155973196
4-cyclohexyloxy-1-(piperidin-4-ylmethyl)piperidine
CID 119931133

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-(piperidin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-cyclopentyl-5-(piperidin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 84814080) is 2-cyclopentyl-5-(piperidin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-cyclopentyl-5-(piperidin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-cyclopentyl-5-(piperidin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide is O=S1(=O)N(CC2CCNCC2)CCN1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-5-(piperidin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is OVKCWTSMVOGBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c17-19(18)15(11-12-5-7-14-8-6-12)9-10-16(19)13-3-1-2-4-13/h12-14H,1-11H2.
What are the key properties of 2-cyclopentyl-5-(piperidin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide?
2-cyclopentyl-5-(piperidin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 287.43 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-(piperidin-4-ylmethyl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 84814080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).