N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide

C11H25NO4S — CID 114135466

IUPACN-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide
SMILESCCCCOCCCNS(=O)(=O)CCCCO
InChIInChI=1S/C11H25NO4S/c1-2-3-9-16-10-6-7-12-17(14,15)11-5-4-8-13/h12-13H,2-11H2,1H3
InChIKeyWYTCKYSAFLOHLA-UHFFFAOYSA-N
MW267.39 g/mol
LogP0.89
Rot. Bonds12

About N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide

N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide (PubChem CID 114135466) has the molecular formula C11H25NO4S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide
PubChem CID114135466
Molecular FormulaC11H25NO4S
Molecular Weight267.39 g/mol
Exact Mass267.15
IUPAC NameN-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide
SMILESCCCCOCCCNS(=O)(=O)CCCCO
InChIInChI=1S/C11H25NO4S/c1-2-3-9-16-10-6-7-12-17(14,15)11-5-4-8-13/h12-13H,2-11H2,1H3
InChIKeyWYTCKYSAFLOHLA-UHFFFAOYSA-N
XLogP0.89
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 50.89
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-(ethylamino)butane-1-sulfonamide
CID 106080386
N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106080388
N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide
CID 116815923
N-(2-hydroxyethyl)decane-1-sulfonamide
CID 171981376
methyl 4-(2-butoxyethylsulfamoyl)butanoate
CID 54951970
2-amino-N-(3-propoxypropyl)ethanesulfonamide
CID 82940128
N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide
CID 106001805
N-(3-propoxypropyl)-2-(propylamino)ethanesulfonamide
CID 106074238
N-(5-hydroxypentyl)-2-methoxyethanesulfonamide
CID 107319418
1-butoxybutane;hexadecan-1-ol;octadecan-1-ol
CID 174405744
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide
CID 82943401

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide?
The IUPAC name of N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide (CID 114135466) is N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide.
What is the SMILES notation for N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide?
The canonical SMILES for N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide is CCCCOCCCNS(=O)(=O)CCCCO.
What is the InChIKey of N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide?
The InChIKey is WYTCKYSAFLOHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4S/c1-2-3-9-16-10-6-7-12-17(14,15)11-5-4-8-13/h12-13H,2-11H2,1H3.
What are the key properties of N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide?
N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide has a molecular weight of 267.39 g/mol, XLogP of 0.89, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide is sourced from PubChem (CID 114135466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).