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

C10H18N4O2S2 — CID 43664086

IUPAC1-ethylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NCc2csnn2)CC1
InChIInChI=1S/C10H18N4O2S2/c1-2-18(15,16)14-5-3-9(4-6-14)11-7-10-8-17-13-12-10/h8-9,11H,2-7H2,1H3
InChIKeyWRSOYGMNANHGFG-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.44
Rot. Bonds5

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

1-ethylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine (PubChem CID 43664086) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
PubChem CID43664086
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name1-ethylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NCc2csnn2)CC1
InChIInChI=1S/C10H18N4O2S2/c1-2-18(15,16)14-5-3-9(4-6-14)11-7-10-8-17-13-12-10/h8-9,11H,2-7H2,1H3
InChIKeyWRSOYGMNANHGFG-UHFFFAOYSA-N
XLogP0.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-ethylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine (CID 43664086) is 1-ethylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-ethylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine is CCS(=O)(=O)N1CCC(NCc2csnn2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine?
The InChIKey is WRSOYGMNANHGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c1-2-18(15,16)14-5-3-9(4-6-14)11-7-10-8-17-13-12-10/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-ethylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine?
1-ethylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 43664086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).