N-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide

C11H27N3O2S — CID 102998608

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)CCCNC
InChIInChI=1S/C11H27N3O2S/c1-5-14(10-7-9-13(3)4)17(15,16)11-6-8-12-2/h12H,5-11H2,1-4H3
InChIKeyIDGGBRRMRFFZAC-UHFFFAOYSA-N
MW265.42 g/mol
LogP0.20
Rot. Bonds10

About N-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide

N-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide (PubChem CID 102998608) has the molecular formula C11H27N3O2S and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide
PubChem CID102998608
Molecular FormulaC11H27N3O2S
Molecular Weight265.42 g/mol
Exact Mass265.18
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)CCCNC
InChIInChI=1S/C11H27N3O2S/c1-5-14(10-7-9-13(3)4)17(15,16)11-6-8-12-2/h12H,5-11H2,1-4H3
InChIKeyIDGGBRRMRFFZAC-UHFFFAOYSA-N
XLogP0.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide
CID 102998606
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102994809
1-bromo-N-[3-(dimethylamino)propyl]-N-ethylmethanesulfonamide
CID 102995887
N-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide
CID 107402812
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
N-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride
CID 102992224
2-[3-(dimethylamino)propyl-ethylsulfamoyl]ethanethioamide
CID 102993369
N-ethyl-4-(methylamino)-N-(2-methylbutyl)butane-1-sulfonamide
CID 79469772
N-ethyl-N-octyloctane-1-sulfonamide
CID 176689597
N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide
CID 102998334
N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine
CID 102997503
N-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide
CID 102998518

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide (CID 102998608) is N-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide is CCN(CCCN(C)C)S(=O)(=O)CCCNC.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide?
The InChIKey is IDGGBRRMRFFZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O2S/c1-5-14(10-7-9-13(3)4)17(15,16)11-6-8-12-2/h12H,5-11H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide?
N-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide has a molecular weight of 265.42 g/mol, XLogP of 0.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide is sourced from PubChem (CID 102998608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).