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

C11H20N4O2S2 — CID 43748013

IUPAC1-propylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NCc2csnn2)CC1
InChIInChI=1S/C11H20N4O2S2/c1-2-7-19(16,17)15-5-3-10(4-6-15)12-8-11-9-18-14-13-11/h9-10,12H,2-8H2,1H3
InChIKeyNIFXGRBTZXOBPI-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.83
Rot. Bonds6

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

1-propylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine (PubChem CID 43748013) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-propylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-propylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
PubChem CID43748013
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC Name1-propylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NCc2csnn2)CC1
InChIInChI=1S/C11H20N4O2S2/c1-2-7-19(16,17)15-5-3-10(4-6-15)12-8-11-9-18-14-13-11/h9-10,12H,2-8H2,1H3
InChIKeyNIFXGRBTZXOBPI-UHFFFAOYSA-N
XLogP0.83
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-propylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine (CID 43748013) is 1-propylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-propylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-propylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine is CCCS(=O)(=O)N1CCC(NCc2csnn2)CC1.
What is the InChIKey of 1-propylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine?
The InChIKey is NIFXGRBTZXOBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-2-7-19(16,17)15-5-3-10(4-6-15)12-8-11-9-18-14-13-11/h9-10,12H,2-8H2,1H3.
What are the key properties of 1-propylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine?
1-propylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine has a molecular weight of 304.44 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 43748013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).