5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine

C11H21N5O2S2 — CID 80606524

IUPAC5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN2CCN(S(C)(=O)=O)CC2)s1
InChIInChI=1S/C11H21N5O2S2/c1-3-4-12-11-14-13-10(19-11)9-15-5-7-16(8-6-15)20(2,17)18/h3-9H2,1-2H3,(H,12,14)
InChIKeyUWZYYBUATGJANU-UHFFFAOYSA-N
MW319.46 g/mol
LogP0.44
Rot. Bonds6

About 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine

5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 80606524) has the molecular formula C11H21N5O2S2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID80606524
Molecular FormulaC11H21N5O2S2
Molecular Weight319.46 g/mol
Exact Mass319.11
IUPAC Name5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN2CCN(S(C)(=O)=O)CC2)s1
InChIInChI=1S/C11H21N5O2S2/c1-3-4-12-11-14-13-10(19-11)9-15-5-7-16(8-6-15)20(2,17)18/h3-9H2,1-2H3,(H,12,14)
InChIKeyUWZYYBUATGJANU-UHFFFAOYSA-N
XLogP0.44
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 80606524) is 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(CN2CCN(S(C)(=O)=O)CC2)s1.
What is the InChIKey of 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is UWZYYBUATGJANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S2/c1-3-4-12-11-14-13-10(19-11)9-15-5-7-16(8-6-15)20(2,17)18/h3-9H2,1-2H3,(H,12,14).
What are the key properties of 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 319.46 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).