N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide

C13H30N2O3S — CID 106080386

IUPACN-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCCCOCCCNS(=O)(=O)CCCCNCC
InChIInChI=1S/C13H30N2O3S/c1-3-5-11-18-12-8-10-15-19(16,17)13-7-6-9-14-4-2/h14-15H,3-13H2,1-2H3
InChIKeyZPUBZXXZRZGZQL-UHFFFAOYSA-N
MW294.46 g/mol
LogP1.50
Rot. Bonds14

About N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide

N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide (PubChem CID 106080386) has the molecular formula C13H30N2O3S and a molecular weight of 294.46 g/mol. Its IUPAC name is N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
PubChem CID106080386
Molecular FormulaC13H30N2O3S
Molecular Weight294.46 g/mol
Exact Mass294.20
IUPAC NameN-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCCCOCCCNS(=O)(=O)CCCCNCC
InChIInChI=1S/C13H30N2O3S/c1-3-5-11-18-12-8-10-15-19(16,17)13-7-6-9-14-4-2/h14-15H,3-13H2,1-2H3
InChIKeyZPUBZXXZRZGZQL-UHFFFAOYSA-N
XLogP1.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 51.50
H-Bond Donors ≤ 52
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-butoxypropyl)-4-hydroxybutane-1-sulfonamide
CID 114135466
N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106080388
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773
N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide
CID 106001805
3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine
CID 89283788
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106092733
N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide
CID 116815923
4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063520
N-(3-propoxypropyl)-2-(propylamino)ethanesulfonamide
CID 106074238
5-(2-butoxyethoxy)-N-ethylpentan-1-amine
CID 62456764
3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine
CID 113481095
3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide
CID 106018630

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide?
The IUPAC name of N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide (CID 106080386) is N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide?
The canonical SMILES for N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide is CCCCOCCCNS(=O)(=O)CCCCNCC.
What is the InChIKey of N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide?
The InChIKey is ZPUBZXXZRZGZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3S/c1-3-5-11-18-12-8-10-15-19(16,17)13-7-6-9-14-4-2/h14-15H,3-13H2,1-2H3.
What are the key properties of N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide?
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide has a molecular weight of 294.46 g/mol, XLogP of 1.50, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide is sourced from PubChem (CID 106080386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).