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

C13H31N3O2S — CID 102998606

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide
SMILESCCCNCCCS(=O)(=O)N(CC)CCCN(C)C
InChIInChI=1S/C13H31N3O2S/c1-5-9-14-10-7-13-19(17,18)16(6-2)12-8-11-15(3)4/h14H,5-13H2,1-4H3
InChIKeyIHDKDJREAZKQLN-UHFFFAOYSA-N
MW293.48 g/mol
LogP0.98
Rot. Bonds12

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

N-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide (PubChem CID 102998606) has the molecular formula C13H31N3O2S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide
PubChem CID102998606
Molecular FormulaC13H31N3O2S
Molecular Weight293.48 g/mol
Exact Mass293.21
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide
SMILESCCCNCCCS(=O)(=O)N(CC)CCCN(C)C
InChIInChI=1S/C13H31N3O2S/c1-5-9-14-10-7-13-19(17,18)16(6-2)12-8-11-15(3)4/h14H,5-13H2,1-4H3
InChIKeyIHDKDJREAZKQLN-UHFFFAOYSA-N
XLogP0.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 50.98
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-(methylamino)propane-1-sulfonamide
CID 102998608
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102994809
N'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine
CID 102998612
1-bromo-N-[3-(dimethylamino)propyl]-N-ethylmethanesulfonamide
CID 102995887
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503
N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190616
N-ethyl-N-octyloctane-1-sulfonamide
CID 176689597
N',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine
CID 63191501
N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide
CID 102998334
N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide
CID 65093412
N-[4-(dimethylamino)butan-2-yl]-3-(propylamino)propane-1-sulfonamide
CID 106054820
N-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride
CID 102992224

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide (CID 102998606) is N-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide is CCCNCCCS(=O)(=O)N(CC)CCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide?
The InChIKey is IHDKDJREAZKQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O2S/c1-5-9-14-10-7-13-19(17,18)16(6-2)12-8-11-15(3)4/h14H,5-13H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide?
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide has a molecular weight of 293.48 g/mol, XLogP of 0.98, 12 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-(propylamino)propane-1-sulfonamide is sourced from PubChem (CID 102998606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).