3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide

C10H24N2O3S — CID 106079963

IUPAC3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCC(C)(C)OC
InChIInChI=1S/C10H24N2O3S/c1-5-11-7-6-8-16(13,14)12-9-10(2,3)15-4/h11-12H,5-9H2,1-4H3
InChIKeyHFGLZEOGJMTCKT-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.33
Rot. Bonds9

About 3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide

3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide (PubChem CID 106079963) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
PubChem CID106079963
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC Name3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCC(C)(C)OC
InChIInChI=1S/C10H24N2O3S/c1-5-11-7-6-8-16(13,14)12-9-10(2,3)15-4/h11-12H,5-9H2,1-4H3
InChIKeyHFGLZEOGJMTCKT-UHFFFAOYSA-N
XLogP0.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.33
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-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
CID 104759977
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106092733
N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 104762864
3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide
CID 114141000
3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide
CID 114141365
N-(cyclohexylmethyl)-3-(ethylamino)propane-1-sulfonamide
CID 106027864
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773
3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide
CID 106018630
3-tert-butylsulfonyl-N-ethylpropan-1-amine
CID 64645773
4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063520
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386
N-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride
CID 119973459

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide (CID 106079963) is 3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide is CCNCCCS(=O)(=O)NCC(C)(C)OC.
What is the InChIKey of 3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide?
The InChIKey is HFGLZEOGJMTCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-5-11-7-6-8-16(13,14)12-9-10(2,3)15-4/h11-12H,5-9H2,1-4H3.
What are the key properties of 3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide?
3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide has a molecular weight of 252.38 g/mol, XLogP of 0.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 106079963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).