3-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol

C18H29N5O3S — CID 126917626

IUPAC3-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol
SMILESCN(CC1(O)CCCN(S(C)(=O)=O)C1)C1CN(c2ccc(C3CC3)nn2)C1
InChIInChI=1S/C18H29N5O3S/c1-21(12-18(24)8-3-9-23(13-18)27(2,25)26)15-10-22(11-15)17-7-6-16(19-20-17)14-4-5-14/h6-7,14-15,24H,3-5,8-13H2,1-2H3
InChIKeyNXVYGJOQRCXBPM-UHFFFAOYSA-N
MW395.53 g/mol
LogP0.26
Rot. Bonds6

About 3-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol

3-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol (PubChem CID 126917626) has the molecular formula C18H29N5O3S and a molecular weight of 395.53 g/mol. Its IUPAC name is 3-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol.

Molecular Properties

Compound Name3-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol
PubChem CID126917626
Molecular FormulaC18H29N5O3S
Molecular Weight395.53 g/mol
Exact Mass395.20
IUPAC Name3-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol
SMILESCN(CC1(O)CCCN(S(C)(=O)=O)C1)C1CN(c2ccc(C3CC3)nn2)C1
InChIInChI=1S/C18H29N5O3S/c1-21(12-18(24)8-3-9-23(13-18)27(2,25)26)15-10-22(11-15)17-7-6-16(19-20-17)14-4-5-14/h6-7,14-15,24H,3-5,8-13H2,1-2H3
InChIKeyNXVYGJOQRCXBPM-UHFFFAOYSA-N
XLogP0.26
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol with MolForge

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Related Compounds

3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol
CID 126919163
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide
CID 126917333
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyloxolane-2-carboxamide
CID 126917260
3-cyclopentyl-1-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-1-methylurea
CID 126917267
1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
CID 126917215
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-(2-morpholin-4-ylethyl)azetidin-3-amine
CID 126917365
1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine
CID 126917570
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine
CID 126917536
3-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol
CID 126912235
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine
CID 126917398
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine
CID 126917379
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-(1,2-thiazol-4-ylmethyl)azetidin-3-amine
CID 126917524

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol?
The IUPAC name of 3-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol (CID 126917626) is 3-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol.
What is the SMILES notation for 3-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol?
The canonical SMILES for 3-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol is CN(CC1(O)CCCN(S(C)(=O)=O)C1)C1CN(c2ccc(C3CC3)nn2)C1.
What is the InChIKey of 3-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol?
The InChIKey is NXVYGJOQRCXBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3S/c1-21(12-18(24)8-3-9-23(13-18)27(2,25)26)15-10-22(11-15)17-7-6-16(19-20-17)14-4-5-14/h6-7,14-15,24H,3-5,8-13H2,1-2H3.
What are the key properties of 3-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol?
3-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol has a molecular weight of 395.53 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol is sourced from PubChem (CID 126917626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).