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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Related Compounds

N-[[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 171691557
N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
CID 165434698
1-(6-tert-butylpyridazin-3-yl)piperidin-4-amine
CID 116972368
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methylmethanesulfonamide
CID 126918115
N-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide
CID 171702378
N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 171335942
1-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603329
1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine
CID 126918355
3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine
CID 171691198
2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
CID 175648477
6-[3-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 45275293
1-(6-tert-butylpyridazin-3-yl)-N,N-dimethylpiperidin-3-amine
CID 134595806

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).