3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile

C11H23N3O4S — CID 100729589

IUPAC3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile
SMILESCOCCCN(C)S(=O)(=O)N(CCC#N)CCOC
InChIInChI=1S/C11H23N3O4S/c1-13(7-5-10-17-2)19(15,16)14(8-4-6-12)9-11-18-3/h4-5,7-11H2,1-3H3
InChIKeyBPKWOFANFNQZGA-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.06
Rot. Bonds11

About 3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile

3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile (PubChem CID 100729589) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile
PubChem CID100729589
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Name3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile
SMILESCOCCCN(C)S(=O)(=O)N(CCC#N)CCOC
InChIInChI=1S/C11H23N3O4S/c1-13(7-5-10-17-2)19(15,16)14(8-4-6-12)9-11-18-3/h4-5,7-11H2,1-3H3
InChIKeyBPKWOFANFNQZGA-UHFFFAOYSA-N
XLogP0.06
TPSA82.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide
CID 63286781
(3R)-3-[[2-cyanoethyl(2-methoxyethyl)sulfamoyl]-methylamino]butanenitrile
CID 100729918
N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 55173259
N-(2-cyanoethyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butane-1-sulfonamide
CID 82903400
N-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)ethanesulfonamide
CID 79578341
3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile
CID 22497852
N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide
CID 55261573
methyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate
CID 63286662
N-(2-methoxyethyl)-N-(3-methoxypropyl)ethanesulfonamide
CID 64585942
3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63285895
4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618347
1-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 122071675

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile?
The IUPAC name of 3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile (CID 100729589) is 3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile?
The canonical SMILES for 3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile is COCCCN(C)S(=O)(=O)N(CCC#N)CCOC.
What is the InChIKey of 3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile?
The InChIKey is BPKWOFANFNQZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-13(7-5-10-17-2)19(15,16)14(8-4-6-12)9-11-18-3/h4-5,7-11H2,1-3H3.
What are the key properties of 3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile?
3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile has a molecular weight of 293.39 g/mol, XLogP of 0.06, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl-[3-methoxypropyl(methyl)sulfamoyl]amino]propanenitrile is sourced from PubChem (CID 100729589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).