N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide

C16H28N4O2S — CID 171691567

IUPACN-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
SMILESCN(CC1CCN(c2ccc(C(C)(C)C)nn2)CC1)S(C)(=O)=O
InChIInChI=1S/C16H28N4O2S/c1-16(2,3)14-6-7-15(18-17-14)20-10-8-13(9-11-20)12-19(4)23(5,21)22/h6-7,13H,8-12H2,1-5H3
InChIKeyDIZGVHPLOQOXCH-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.88
Rot. Bonds4

About N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide

N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 171691567) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
PubChem CID171691567
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC NameN-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
SMILESCN(CC1CCN(c2ccc(C(C)(C)C)nn2)CC1)S(C)(=O)=O
InChIInChI=1S/C16H28N4O2S/c1-16(2,3)14-6-7-15(18-17-14)20-10-8-13(9-11-20)12-19(4)23(5,21)22/h6-7,13H,8-12H2,1-5H3
InChIKeyDIZGVHPLOQOXCH-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide (CID 171691567) is N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide is CN(CC1CCN(c2ccc(C(C)(C)C)nn2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is DIZGVHPLOQOXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-16(2,3)14-6-7-15(18-17-14)20-10-8-13(9-11-20)12-19(4)23(5,21)22/h6-7,13H,8-12H2,1-5H3.
What are the key properties of N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide?
N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 171691567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).