N-[1-(ethyliminomethylideneamino)propyl]-N-methylsulfonylmethanesulfonamide;hydrochloride

C8H18ClN3O4S2 — CID 87084347

IUPACN-[1-(ethyliminomethylideneamino)propyl]-N-methylsulfonylmethanesulfonamide;hydrochloride
SMILESCCN=C=NC(CC)N(S(C)(=O)=O)S(C)(=O)=O.Cl
InChIInChI=1S/C8H17N3O4S2.ClH/c1-5-8(10-7-9-6-2)11(16(3,12)13)17(4,14)15;/h8H,5-6H2,1-4H3;1H
InChIKeyIFBVGBDVFIVMNL-UHFFFAOYSA-N
MW319.84 g/mol
LogP0.56
Rot. Bonds6

About N-[1-(ethyliminomethylideneamino)propyl]-N-methylsulfonylmethanesulfonamide;hydrochloride

N-[1-(ethyliminomethylideneamino)propyl]-N-methylsulfonylmethanesulfonamide;hydrochloride (PubChem CID 87084347) has the molecular formula C8H18ClN3O4S2 and a molecular weight of 319.84 g/mol. Its IUPAC name is N-[1-(ethyliminomethylideneamino)propyl]-N-methylsulfonylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(ethyliminomethylideneamino)propyl]-N-methylsulfonylmethanesulfonamide;hydrochloride
PubChem CID87084347
Molecular FormulaC8H18ClN3O4S2
Molecular Weight319.84 g/mol
Exact Mass319.04
IUPAC NameN-[1-(ethyliminomethylideneamino)propyl]-N-methylsulfonylmethanesulfonamide;hydrochloride
SMILESCCN=C=NC(CC)N(S(C)(=O)=O)S(C)(=O)=O.Cl
InChIInChI=1S/C8H17N3O4S2.ClH/c1-5-8(10-7-9-6-2)11(16(3,12)13)17(4,14)15;/h8H,5-6H2,1-4H3;1H
InChIKeyIFBVGBDVFIVMNL-UHFFFAOYSA-N
XLogP0.56
TPSA96.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 19969141
1-(ethyliminomethylideneamino)-N-methylpropan-1-amine;hydrochloride
CID 87886193
N-[2-(ethyliminomethylideneamino)ethyl]-N-propan-2-ylpropan-2-amine
CID 151363016
N'-ethyl-N-methylmethanediimine;hydrochloride
CID 174911040
1-(ethyliminomethylideneamino)butan-1-amine
CID 87880759
N-(ethyliminomethylideneamino)-N-methylbutan-2-amine
CID 87926002
[3-(dimethylamino)-1-(ethyliminomethylideneamino)propyl]phosphonic acid
CID 25127996
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;silver;hydrochloride
CID 174929426
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174499626
4-[bis(methylsulfonyl)amino]-2-methylhex-2-enoic acid
CID 173238923
N-(propyliminomethylidene)methanesulfonamide
CID 119096603
N,N'-diethylmethanediimine;isocyanatoethane;isothiocyanatoethane
CID 167685038

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethyliminomethylideneamino)propyl]-N-methylsulfonylmethanesulfonamide;hydrochloride?
The IUPAC name of N-[1-(ethyliminomethylideneamino)propyl]-N-methylsulfonylmethanesulfonamide;hydrochloride (CID 87084347) is N-[1-(ethyliminomethylideneamino)propyl]-N-methylsulfonylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(ethyliminomethylideneamino)propyl]-N-methylsulfonylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(ethyliminomethylideneamino)propyl]-N-methylsulfonylmethanesulfonamide;hydrochloride is CCN=C=NC(CC)N(S(C)(=O)=O)S(C)(=O)=O.Cl.
What is the InChIKey of N-[1-(ethyliminomethylideneamino)propyl]-N-methylsulfonylmethanesulfonamide;hydrochloride?
The InChIKey is IFBVGBDVFIVMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S2.ClH/c1-5-8(10-7-9-6-2)11(16(3,12)13)17(4,14)15;/h8H,5-6H2,1-4H3;1H.
What are the key properties of N-[1-(ethyliminomethylideneamino)propyl]-N-methylsulfonylmethanesulfonamide;hydrochloride?
N-[1-(ethyliminomethylideneamino)propyl]-N-methylsulfonylmethanesulfonamide;hydrochloride has a molecular weight of 319.84 g/mol, XLogP of 0.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethyliminomethylideneamino)propyl]-N-methylsulfonylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 87084347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).