N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide

C13H31N3O2S — CID 102994809

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)CCCNC(C)C
InChIInChI=1S/C13H31N3O2S/c1-6-16(11-8-10-15(4)5)19(17,18)12-7-9-14-13(2)3/h13-14H,6-12H2,1-5H3
InChIKeyHZVQZVMQEJSLBW-UHFFFAOYSA-N
MW293.48 g/mol
LogP0.98
Rot. Bonds11

About N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide

N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide (PubChem CID 102994809) 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-(propan-2-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide
PubChem CID102994809
Molecular FormulaC13H31N3O2S
Molecular Weight293.48 g/mol
Exact Mass293.21
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)CCCNC(C)C
InChIInChI=1S/C13H31N3O2S/c1-6-16(11-8-10-15(4)5)19(17,18)12-7-9-14-13(2)3/h13-14H,6-12H2,1-5H3
InChIKeyHZVQZVMQEJSLBW-UHFFFAOYSA-N
XLogP0.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
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-(propylamino)propane-1-sulfonamide
CID 102998606
N-[3-(dimethylamino)propyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54974106
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107480963
1-bromo-N-[3-(dimethylamino)propyl]-N-ethylmethanesulfonamide
CID 102995887
N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972433
N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine
CID 114525572
N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972654
N-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54986230
N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 63010138
N-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride
CID 102992224
N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide
CID 165444690

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide (CID 102994809) is N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide is CCN(CCCN(C)C)S(=O)(=O)CCCNC(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide?
The InChIKey is HZVQZVMQEJSLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O2S/c1-6-16(11-8-10-15(4)5)19(17,18)12-7-9-14-13(2)3/h13-14H,6-12H2,1-5H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide?
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide has a molecular weight of 293.48 g/mol, XLogP of 0.98, 11 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-(propan-2-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 102994809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).