N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine

C11H19N3O2S — CID 86916823

IUPACN-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine
SMILESCCN(CC)S(=O)(=O)N(C)Cc1cccnc1
InChIInChI=1S/C11H19N3O2S/c1-4-14(5-2)17(15,16)13(3)10-11-7-6-8-12-9-11/h6-9H,4-5,10H2,1-3H3
InChIKeyCMNFHNABQVFRJY-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.10
Rot. Bonds6

About N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine

N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine (PubChem CID 86916823) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine
PubChem CID86916823
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine
SMILESCCN(CC)S(=O)(=O)N(C)Cc1cccnc1
InChIInChI=1S/C11H19N3O2S/c1-4-14(5-2)17(15,16)13(3)10-11-7-6-8-12-9-11/h6-9H,4-5,10H2,1-3H3
InChIKeyCMNFHNABQVFRJY-UHFFFAOYSA-N
XLogP1.10
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 174517903
N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine
CID 86931183
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
N-methyl-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 47121805
N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110724741
N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110724733
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 86922552
lithium N,N-bis(pyridin-3-ylmethyl)sulfamate
CID 153347507
5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 47304245
2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid
CID 43471408
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 3583133
N-methyl-9,10-dioxo-N-(pyridin-3-ylmethyl)anthracene-1-sulfonamide
CID 3853066

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine?
The IUPAC name of N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine (CID 86916823) is N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine?
The canonical SMILES for N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine is CCN(CC)S(=O)(=O)N(C)Cc1cccnc1.
What is the InChIKey of N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine?
The InChIKey is CMNFHNABQVFRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-14(5-2)17(15,16)13(3)10-11-7-6-8-12-9-11/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine?
N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine has a molecular weight of 257.36 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine is sourced from PubChem (CID 86916823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).