methyl 3-[cyclopropylmethyl(methyl)amino]-6-morpholin-4-ylsulfonylpyridazine-4-carboxylate

C15H22N4O5S — CID 162747426

IUPACmethyl 3-[cyclopropylmethyl(methyl)amino]-6-morpholin-4-ylsulfonylpyridazine-4-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)nnc1N(C)CC1CC1
InChIInChI=1S/C15H22N4O5S/c1-18(10-11-3-4-11)14-12(15(20)23-2)9-13(16-17-14)25(21,22)19-5-7-24-8-6-19/h9,11H,3-8,10H2,1-2H3
InChIKeySRQAURQUGBDYBR-UHFFFAOYSA-N
MW370.43 g/mol
LogP0.13
Rot. Bonds6

About methyl 3-[cyclopropylmethyl(methyl)amino]-6-morpholin-4-ylsulfonylpyridazine-4-carboxylate

methyl 3-[cyclopropylmethyl(methyl)amino]-6-morpholin-4-ylsulfonylpyridazine-4-carboxylate (PubChem CID 162747426) has the molecular formula C15H22N4O5S and a molecular weight of 370.43 g/mol. Its IUPAC name is methyl 3-[cyclopropylmethyl(methyl)amino]-6-morpholin-4-ylsulfonylpyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[cyclopropylmethyl(methyl)amino]-6-morpholin-4-ylsulfonylpyridazine-4-carboxylate
PubChem CID162747426
Molecular FormulaC15H22N4O5S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC Namemethyl 3-[cyclopropylmethyl(methyl)amino]-6-morpholin-4-ylsulfonylpyridazine-4-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)nnc1N(C)CC1CC1
InChIInChI=1S/C15H22N4O5S/c1-18(10-11-3-4-11)14-12(15(20)23-2)9-13(16-17-14)25(21,22)19-5-7-24-8-6-19/h9,11H,3-8,10H2,1-2H3
InChIKeySRQAURQUGBDYBR-UHFFFAOYSA-N
XLogP0.13
TPSA101.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-amino-2-morpholin-4-ylsulfonylbenzoate
CID 102930731
methyl 2-[cyclopropylmethyl(methyl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
CID 169247691
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
2-[cyclopropylmethyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 162747418
methyl 4-amino-2-(1,4-oxazepan-4-ylsulfonyl)benzoate
CID 102931216
2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-methyl-4-morpholin-4-ylsulfonylaniline
CID 162747419
methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate
CID 68873927
methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate
CID 3514261
1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine
CID 71891524
N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60603204
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate
CID 9331544

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopropylmethyl(methyl)amino]-6-morpholin-4-ylsulfonylpyridazine-4-carboxylate?
The IUPAC name of methyl 3-[cyclopropylmethyl(methyl)amino]-6-morpholin-4-ylsulfonylpyridazine-4-carboxylate (CID 162747426) is methyl 3-[cyclopropylmethyl(methyl)amino]-6-morpholin-4-ylsulfonylpyridazine-4-carboxylate.
What is the SMILES notation for methyl 3-[cyclopropylmethyl(methyl)amino]-6-morpholin-4-ylsulfonylpyridazine-4-carboxylate?
The canonical SMILES for methyl 3-[cyclopropylmethyl(methyl)amino]-6-morpholin-4-ylsulfonylpyridazine-4-carboxylate is COC(=O)c1cc(S(=O)(=O)N2CCOCC2)nnc1N(C)CC1CC1.
What is the InChIKey of methyl 3-[cyclopropylmethyl(methyl)amino]-6-morpholin-4-ylsulfonylpyridazine-4-carboxylate?
The InChIKey is SRQAURQUGBDYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5S/c1-18(10-11-3-4-11)14-12(15(20)23-2)9-13(16-17-14)25(21,22)19-5-7-24-8-6-19/h9,11H,3-8,10H2,1-2H3.
What are the key properties of methyl 3-[cyclopropylmethyl(methyl)amino]-6-morpholin-4-ylsulfonylpyridazine-4-carboxylate?
methyl 3-[cyclopropylmethyl(methyl)amino]-6-morpholin-4-ylsulfonylpyridazine-4-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 0.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopropylmethyl(methyl)amino]-6-morpholin-4-ylsulfonylpyridazine-4-carboxylate is sourced from PubChem (CID 162747426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).