3-[4-(5-cyclopentyl-2-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]thiolane 1,1-dioxide

C18H30N4O2S — CID 72841375

IUPAC3-[4-(5-cyclopentyl-2-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]thiolane 1,1-dioxide
SMILESCCn1nc(C2CCCC2)nc1C1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C18H30N4O2S/c1-2-22-18(19-17(20-22)14-5-3-4-6-14)15-7-10-21(11-8-15)16-9-12-25(23,24)13-16/h14-16H,2-13H2,1H3
InChIKeyRFHFWYDNTQYFKU-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.32
Rot. Bonds4

About 3-[4-(5-cyclopentyl-2-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]thiolane 1,1-dioxide

3-[4-(5-cyclopentyl-2-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]thiolane 1,1-dioxide (PubChem CID 72841375) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is 3-[4-(5-cyclopentyl-2-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[4-(5-cyclopentyl-2-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]thiolane 1,1-dioxide
PubChem CID72841375
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name3-[4-(5-cyclopentyl-2-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]thiolane 1,1-dioxide
SMILESCCn1nc(C2CCCC2)nc1C1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C18H30N4O2S/c1-2-22-18(19-17(20-22)14-5-3-4-6-14)15-7-10-21(11-8-15)16-9-12-25(23,24)13-16/h14-16H,2-13H2,1H3
InChIKeyRFHFWYDNTQYFKU-UHFFFAOYSA-N
XLogP2.32
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-(5-cyclopentyl-2-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]thiolane 1,1-dioxide with MolForge

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Related Compounds

2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine
CID 53611647
1-(Cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 84599406
1-(5-Cyclopentyl-4-methyl-1,2,4-triazol-3-yl)-4-ethylsulfonylpiperazine
CID 164637130
US20240398781, Example 18C
CID 168907154
US20240398781, Example 18A
CID 168907159
US20240398781, Example 18B
CID 168907301
US20240398781, Example 18D
CID 168907324
US20240398781, Example 74A
CID 168907373
US20240398781, Example 74B
CID 172535077
3-cyclopentyl-5-[2-(methylsulfonyl)ethyl]-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
CID 72868455
1-{[3-cyclopentyl-1-(1,1-dioxidotetrahydro-3-thienyl)-1H-1,2,4-triazol-5-yl]methyl}-1H-tetrazole
CID 72869743
7-[3-(5-Cyclopropyl-2-propan-2-yl-1,2,4-triazol-3-yl)cyclopentyl]-2lambda6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907162

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-cyclopentyl-2-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[4-(5-cyclopentyl-2-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]thiolane 1,1-dioxide (CID 72841375) is 3-[4-(5-cyclopentyl-2-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[4-(5-cyclopentyl-2-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[4-(5-cyclopentyl-2-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]thiolane 1,1-dioxide is CCn1nc(C2CCCC2)nc1C1CCN(C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 3-[4-(5-cyclopentyl-2-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]thiolane 1,1-dioxide?
The InChIKey is RFHFWYDNTQYFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-2-22-18(19-17(20-22)14-5-3-4-6-14)15-7-10-21(11-8-15)16-9-12-25(23,24)13-16/h14-16H,2-13H2,1H3.
What are the key properties of 3-[4-(5-cyclopentyl-2-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]thiolane 1,1-dioxide?
3-[4-(5-cyclopentyl-2-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]thiolane 1,1-dioxide has a molecular weight of 366.53 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-cyclopentyl-2-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 72841375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).