N-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide

C13H30N2O3S — CID 102998518

IUPACN-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide
SMILESCCN(CC)CCCN(CC)S(=O)(=O)CCCCO
InChIInChI=1S/C13H30N2O3S/c1-4-14(5-2)10-9-11-15(6-3)19(17,18)13-8-7-12-16/h16H,4-13H2,1-3H3
InChIKeySRYFHNOQCSKDHB-UHFFFAOYSA-N
MW294.46 g/mol
LogP1.14
Rot. Bonds12

About N-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide

N-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide (PubChem CID 102998518) has the molecular formula C13H30N2O3S and a molecular weight of 294.46 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide
PubChem CID102998518
Molecular FormulaC13H30N2O3S
Molecular Weight294.46 g/mol
Exact Mass294.20
IUPAC NameN-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide
SMILESCCN(CC)CCCN(CC)S(=O)(=O)CCCCO
InChIInChI=1S/C13H30N2O3S/c1-4-14(5-2)10-9-11-15(6-3)19(17,18)13-8-7-12-16/h16H,4-13H2,1-3H3
InChIKeySRYFHNOQCSKDHB-UHFFFAOYSA-N
XLogP1.14
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 51.14
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-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide
CID 102998334
N-ethyl-N-octyloctane-1-sulfonamide
CID 176689597
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459
3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol
CID 103714098
3-[3-(diethylamino)propyl-methylamino]propan-1-ol
CID 12721796
N-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide
CID 102998608
N,N-dioctyldodecane-1-sulfonamide
CID 15510197
3-amino-N-ethyl-N-propylpropane-1-sulfonamide
CID 60910344
1-bromo-N-[3-(dimethylamino)propyl]-N-ethylmethanesulfonamide
CID 102995887
N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102992728
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide
CID 102998606

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide (CID 102998518) is N-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide is CCN(CC)CCCN(CC)S(=O)(=O)CCCCO.
What is the InChIKey of N-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide?
The InChIKey is SRYFHNOQCSKDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3S/c1-4-14(5-2)10-9-11-15(6-3)19(17,18)13-8-7-12-16/h16H,4-13H2,1-3H3.
What are the key properties of N-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide?
N-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide has a molecular weight of 294.46 g/mol, XLogP of 1.14, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide is sourced from PubChem (CID 102998518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).