N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine

C16H22N4O2S2 — CID 133321526

IUPACN-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCS(=O)(=O)CCN1CCC(Nc2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C16H22N4O2S2/c1-24(21,22)12-11-20-9-7-14(8-10-20)17-16-18-15(19-23-16)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,18,19)
InChIKeyKCOXWDVXXNRRRL-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.13
Rot. Bonds6

About N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine

N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 133321526) has the molecular formula C16H22N4O2S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID133321526
Molecular FormulaC16H22N4O2S2
Molecular Weight366.51 g/mol
Exact Mass366.12
IUPAC NameN-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCS(=O)(=O)CCN1CCC(Nc2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C16H22N4O2S2/c1-24(21,22)12-11-20-9-7-14(8-10-20)17-16-18-15(19-23-16)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,18,19)
InChIKeyKCOXWDVXXNRRRL-UHFFFAOYSA-N
XLogP2.13
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine (CID 133321526) is N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine is CS(=O)(=O)CCN1CCC(Nc2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is KCOXWDVXXNRRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S2/c1-24(21,22)12-11-20-9-7-14(8-10-20)17-16-18-15(19-23-16)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,18,19).
What are the key properties of N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine?
N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 366.51 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133321526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).