N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide

C13H30N2O4S — CID 106001805

IUPACN-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)NCCCOCCOC
InChIInChI=1S/C13H30N2O4S/c1-3-7-14-8-4-5-13-20(16,17)15-9-6-10-19-12-11-18-2/h14-15H,3-13H2,1-2H3
InChIKeyKTMIIKRDNVQXLC-UHFFFAOYSA-N
MW310.46 g/mol
LogP0.74
Rot. Bonds15

About N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide

N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide (PubChem CID 106001805) has the molecular formula C13H30N2O4S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide
PubChem CID106001805
Molecular FormulaC13H30N2O4S
Molecular Weight310.46 g/mol
Exact Mass310.19
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)NCCCOCCOC
InChIInChI=1S/C13H30N2O4S/c1-3-7-14-8-4-5-13-20(16,17)15-9-6-10-19-12-11-18-2/h14-15H,3-13H2,1-2H3
InChIKeyKTMIIKRDNVQXLC-UHFFFAOYSA-N
XLogP0.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386
N-(3-propoxypropyl)-2-(propylamino)ethanesulfonamide
CID 106074238
N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide
CID 106092786
N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114140768
N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105
3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 103409415
5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine
CID 103181294
N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide
CID 114135466
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106092733
N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106080388
N-[(4-ethylcyclohexyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106012793
N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide
CID 106028001

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide (CID 106001805) is N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide is CCCNCCCCS(=O)(=O)NCCCOCCOC.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide?
The InChIKey is KTMIIKRDNVQXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O4S/c1-3-7-14-8-4-5-13-20(16,17)15-9-6-10-19-12-11-18-2/h14-15H,3-13H2,1-2H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide?
N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide has a molecular weight of 310.46 g/mol, XLogP of 0.74, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide is sourced from PubChem (CID 106001805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).