N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide

C11H26N2O3S — CID 106078707

IUPACN-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NCC(C)OCC
InChIInChI=1S/C11H26N2O3S/c1-4-12-8-6-7-9-17(14,15)13-10-11(3)16-5-2/h11-13H,4-10H2,1-3H3
InChIKeyQCIYUPTXDRGWNE-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.72
Rot. Bonds11

About N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide

N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide (PubChem CID 106078707) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide
PubChem CID106078707
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC NameN-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NCC(C)OCC
InChIInChI=1S/C11H26N2O3S/c1-4-12-8-6-7-9-17(14,15)13-10-11(3)16-5-2/h11-13H,4-10H2,1-3H3
InChIKeyQCIYUPTXDRGWNE-UHFFFAOYSA-N
XLogP0.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.72
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

2-ethoxypropylsulfamic acid
CID 174221196
2-ethoxy-1-(sulfamoylamino)propane
CID 115650675
3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide
CID 114141000
4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063520
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773
3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide
CID 106018630
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106092733
N-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide
CID 115407704
4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide
CID 106068224
3-amino-N-(2-methoxypropyl)propane-1-sulfonamide
CID 102697740
N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide
CID 113479488

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide?
The IUPAC name of N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide (CID 106078707) is N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide?
The canonical SMILES for N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide is CCNCCCCS(=O)(=O)NCC(C)OCC.
What is the InChIKey of N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide?
The InChIKey is QCIYUPTXDRGWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-4-12-8-6-7-9-17(14,15)13-10-11(3)16-5-2/h11-13H,4-10H2,1-3H3.
What are the key properties of N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide?
N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.72, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide is sourced from PubChem (CID 106078707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).