1-methylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine

C9H16N4O2S2 — CID 43664169

IUPAC1-methylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCc2csnn2)CC1
InChIInChI=1S/C9H16N4O2S2/c1-17(14,15)13-4-2-8(3-5-13)10-6-9-7-16-12-11-9/h7-8,10H,2-6H2,1H3
InChIKeyIODBRGBUGRTVTM-UHFFFAOYSA-N
MW276.39 g/mol
LogP0.05
Rot. Bonds4

About 1-methylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine

1-methylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine (PubChem CID 43664169) has the molecular formula C9H16N4O2S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
PubChem CID43664169
Molecular FormulaC9H16N4O2S2
Molecular Weight276.39 g/mol
Exact Mass276.07
IUPAC Name1-methylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCc2csnn2)CC1
InChIInChI=1S/C9H16N4O2S2/c1-17(14,15)13-4-2-8(3-5-13)10-6-9-7-16-12-11-9/h7-8,10H,2-6H2,1H3
InChIKeyIODBRGBUGRTVTM-UHFFFAOYSA-N
XLogP0.05
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine (CID 43664169) is 1-methylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine is CS(=O)(=O)N1CCC(NCc2csnn2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine?
The InChIKey is IODBRGBUGRTVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S2/c1-17(14,15)13-4-2-8(3-5-13)10-6-9-7-16-12-11-9/h7-8,10H,2-6H2,1H3.
What are the key properties of 1-methylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine?
1-methylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine has a molecular weight of 276.39 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 43664169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).