(3R,4S)-N-(cyclopropylsulfamoyl)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-amine

C14H23N5O3S — CID 174324809

IUPAC(3R,4S)-N-(cyclopropylsulfamoyl)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-amine
SMILESCOC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)NC1CC1
InChIInChI=1S/C14H23N5O3S/c1-22-10-11-9-19(14-3-2-7-15-16-14)8-6-13(11)18-23(20,21)17-12-4-5-12/h2-3,7,11-13,17-18H,4-6,8-10H2,1H3/t11-,13-/m0/s1
InChIKeyZQYLEXWSMJYALB-AAEUAGOBSA-N
MW341.44 g/mol
LogP-0.10
Rot. Bonds7

About (3R,4S)-N-(cyclopropylsulfamoyl)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-amine

(3R,4S)-N-(cyclopropylsulfamoyl)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-amine (PubChem CID 174324809) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is (3R,4S)-N-(cyclopropylsulfamoyl)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-N-(cyclopropylsulfamoyl)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-amine
PubChem CID174324809
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC Name(3R,4S)-N-(cyclopropylsulfamoyl)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-amine
SMILESCOC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)NC1CC1
InChIInChI=1S/C14H23N5O3S/c1-22-10-11-9-19(14-3-2-7-15-16-14)8-6-13(11)18-23(20,21)17-12-4-5-12/h2-3,7,11-13,17-18H,4-6,8-10H2,1H3/t11-,13-/m0/s1
InChIKeyZQYLEXWSMJYALB-AAEUAGOBSA-N
XLogP-0.10
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(cyclopropylsulfamoyl)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-amine?
The IUPAC name of (3R,4S)-N-(cyclopropylsulfamoyl)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-amine (CID 174324809) is (3R,4S)-N-(cyclopropylsulfamoyl)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-amine.
What is the SMILES notation for (3R,4S)-N-(cyclopropylsulfamoyl)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-amine?
The canonical SMILES for (3R,4S)-N-(cyclopropylsulfamoyl)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-amine is COC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)NC1CC1.
What is the InChIKey of (3R,4S)-N-(cyclopropylsulfamoyl)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-amine?
The InChIKey is ZQYLEXWSMJYALB-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-22-10-11-9-19(14-3-2-7-15-16-14)8-6-13(11)18-23(20,21)17-12-4-5-12/h2-3,7,11-13,17-18H,4-6,8-10H2,1H3/t11-,13-/m0/s1.
What are the key properties of (3R,4S)-N-(cyclopropylsulfamoyl)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-amine?
(3R,4S)-N-(cyclopropylsulfamoyl)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-amine has a molecular weight of 341.44 g/mol, XLogP of -0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(cyclopropylsulfamoyl)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-amine is sourced from PubChem (CID 174324809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).