3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide

C12H28N2O3S — CID 106018630

IUPAC3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCCOCCC(C)C
InChIInChI=1S/C12H28N2O3S/c1-4-13-7-5-11-18(15,16)14-8-10-17-9-6-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyBIUJOJCRGUJQBA-UHFFFAOYSA-N
MW280.43 g/mol
LogP0.97
Rot. Bonds12

About 3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide

3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide (PubChem CID 106018630) has the molecular formula C12H28N2O3S and a molecular weight of 280.43 g/mol. Its IUPAC name is 3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide
PubChem CID106018630
Molecular FormulaC12H28N2O3S
Molecular Weight280.43 g/mol
Exact Mass280.18
IUPAC Name3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCCOCCC(C)C
InChIInChI=1S/C12H28N2O3S/c1-4-13-7-5-11-18(15,16)14-8-10-17-9-6-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyBIUJOJCRGUJQBA-UHFFFAOYSA-N
XLogP0.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 50.97
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

3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide
CID 114141365
N-[2-(3-methylbutoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106018612
N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
CID 62336857
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726
3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide
CID 114141000
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106092733
N-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide
CID 106402426
N-ethyl-4-methylpentane-1-sulfonamide
CID 121353244
3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
CID 106079963
N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 61483947
2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide
CID 107652526

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide (CID 106018630) is 3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide is CCNCCCS(=O)(=O)NCCOCCC(C)C.
What is the InChIKey of 3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide?
The InChIKey is BIUJOJCRGUJQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3S/c1-4-13-7-5-11-18(15,16)14-8-10-17-9-6-12(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of 3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide?
3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide has a molecular weight of 280.43 g/mol, XLogP of 0.97, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 106018630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).