N,N-dimethyl-1-[4-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,2,4-triazol-3-yl]methanamine

C15H25N7O2S — CID 70775382

IUPACN,N-dimethyl-1-[4-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,2,4-triazol-3-yl]methanamine
SMILESCN(C)Cc1nnc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1C
InChIInChI=1S/C15H25N7O2S/c1-19(2)9-13-17-18-15(21(13)4)12-5-7-22(8-6-12)25(23,24)14-10-20(3)11-16-14/h10-12H,5-9H2,1-4H3
InChIKeyZSTPMEJVYMLDHU-UHFFFAOYSA-N
MW367.48 g/mol
LogP0.18
Rot. Bonds5

About N,N-dimethyl-1-[4-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,2,4-triazol-3-yl]methanamine

N,N-dimethyl-1-[4-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 70775382) has the molecular formula C15H25N7O2S and a molecular weight of 367.48 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,2,4-triazol-3-yl]methanamine
PubChem CID70775382
Molecular FormulaC15H25N7O2S
Molecular Weight367.48 g/mol
Exact Mass367.18
IUPAC NameN,N-dimethyl-1-[4-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,2,4-triazol-3-yl]methanamine
SMILESCN(C)Cc1nnc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1C
InChIInChI=1S/C15H25N7O2S/c1-19(2)9-13-17-18-15(21(13)4)12-5-7-22(8-6-12)25(23,24)14-10-20(3)11-16-14/h10-12H,5-9H2,1-4H3
InChIKeyZSTPMEJVYMLDHU-UHFFFAOYSA-N
XLogP0.18
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,2,4-triazol-3-yl]methanamine (CID 70775382) is N,N-dimethyl-1-[4-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,2,4-triazol-3-yl]methanamine is CN(C)Cc1nnc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1C.
What is the InChIKey of N,N-dimethyl-1-[4-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is ZSTPMEJVYMLDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O2S/c1-19(2)9-13-17-18-15(21(13)4)12-5-7-22(8-6-12)25(23,24)14-10-20(3)11-16-14/h10-12H,5-9H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[4-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,2,4-triazol-3-yl]methanamine?
N,N-dimethyl-1-[4-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 367.48 g/mol, XLogP of 0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 70775382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).