N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine

C11H21N5O2S — CID 43628903

IUPACN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCc1nnc(CNC2CCN(S(C)(=O)=O)CC2)n1C
InChIInChI=1S/C11H21N5O2S/c1-9-13-14-11(15(9)2)8-12-10-4-6-16(7-5-10)19(3,17)18/h10,12H,4-8H2,1-3H3
InChIKeyXVPPEFYAJWMBBA-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.36
Rot. Bonds4

About N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 43628903) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
PubChem CID43628903
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCc1nnc(CNC2CCN(S(C)(=O)=O)CC2)n1C
InChIInChI=1S/C11H21N5O2S/c1-9-13-14-11(15(9)2)8-12-10-4-6-16(7-5-10)19(3,17)18/h10,12H,4-8H2,1-3H3
InChIKeyXVPPEFYAJWMBBA-UHFFFAOYSA-N
XLogP-0.36
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine (CID 43628903) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine is Cc1nnc(CNC2CCN(S(C)(=O)=O)CC2)n1C.
What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is XVPPEFYAJWMBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-9-13-14-11(15(9)2)8-12-10-4-6-16(7-5-10)19(3,17)18/h10,12H,4-8H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 287.39 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43628903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).