N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine

C10H17ClN4O2S2 — CID 71970602

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine
SMILESCN(Cc1nnsc1Cl)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H17ClN4O2S2/c1-14(7-9-10(11)18-13-12-9)8-3-5-15(6-4-8)19(2,16)17/h8H,3-7H2,1-2H3
InChIKeyUAKFMYPITUUWNQ-UHFFFAOYSA-N
MW324.86 g/mol
LogP1.05
Rot. Bonds4

About N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine

N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine (PubChem CID 71970602) has the molecular formula C10H17ClN4O2S2 and a molecular weight of 324.86 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine
PubChem CID71970602
Molecular FormulaC10H17ClN4O2S2
Molecular Weight324.86 g/mol
Exact Mass324.05
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine
SMILESCN(Cc1nnsc1Cl)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H17ClN4O2S2/c1-14(7-9-10(11)18-13-12-9)8-3-5-15(6-4-8)19(2,16)17/h8H,3-7H2,1-2H3
InChIKeyUAKFMYPITUUWNQ-UHFFFAOYSA-N
XLogP1.05
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine (CID 71970602) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine is CN(Cc1nnsc1Cl)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine?
The InChIKey is UAKFMYPITUUWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2S2/c1-14(7-9-10(11)18-13-12-9)8-3-5-15(6-4-8)19(2,16)17/h8H,3-7H2,1-2H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine has a molecular weight of 324.86 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 71970602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).