N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide

C10H24N2O3S — CID 106019710

IUPACN-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCCOCCNS(=O)(=O)C(C)CNC(C)C
InChIInChI=1S/C10H24N2O3S/c1-5-15-7-6-12-16(13,14)10(4)8-11-9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyHFLORSZNMBQWBE-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.33
Rot. Bonds9

About N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide

N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106019710) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106019710
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC NameN-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCCOCCNS(=O)(=O)C(C)CNC(C)C
InChIInChI=1S/C10H24N2O3S/c1-5-15-7-6-12-16(13,14)10(4)8-11-9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyHFLORSZNMBQWBE-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

N-(3-methylbutyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106059116
N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114137559
2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
CID 63246255
N-(5-methylsulfanylpentyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114142684
N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106079958
N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106032073
N-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106064773
N-[2-(2-ethoxyethoxy)ethyl]methanesulfonamide
CID 176560121
N-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide
CID 114142112
N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]methanesulfonamide
CID 170639490
1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide
CID 106295870
N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106029944

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106019710) is N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide is CCOCCNS(=O)(=O)C(C)CNC(C)C.
What is the InChIKey of N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is HFLORSZNMBQWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-5-15-7-6-12-16(13,14)10(4)8-11-9(2)3/h9-12H,5-8H2,1-4H3.
What are the key properties of N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-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 N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106019710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).