N-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide

C13H30N2O3S — CID 54986230

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCOCCN(CC(C)C)S(=O)(=O)CCCNC(C)C
InChIInChI=1S/C13H30N2O3S/c1-12(2)11-15(8-9-18-5)19(16,17)10-6-7-14-13(3)4/h12-14H,6-11H2,1-5H3
InChIKeyNSFIYUHYGYHULX-UHFFFAOYSA-N
MW294.46 g/mol
LogP1.31
Rot. Bonds11

About N-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide

N-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide (PubChem CID 54986230) has the molecular formula C13H30N2O3S and a molecular weight of 294.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide
PubChem CID54986230
Molecular FormulaC13H30N2O3S
Molecular Weight294.46 g/mol
Exact Mass294.20
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCOCCN(CC(C)C)S(=O)(=O)CCCNC(C)C
InChIInChI=1S/C13H30N2O3S/c1-12(2)11-15(8-9-18-5)19(16,17)10-6-7-14-13(3)4/h12-14H,6-11H2,1-5H3
InChIKeyNSFIYUHYGYHULX-UHFFFAOYSA-N
XLogP1.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 51.31
H-Bond Donors ≤ 51
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-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 63010138
3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid
CID 60950187
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107480963
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 55004039
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102994809
N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 82951040
N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114131476
N'-(2-methoxyethyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine
CID 82949090
4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine
CID 82952231
3-(3-methylbutylsulfonyl)-N-propan-2-ylpropan-1-amine
CID 107757850
N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972433
N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62448411

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide (CID 54986230) is N-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide is COCCN(CC(C)C)S(=O)(=O)CCCNC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The InChIKey is NSFIYUHYGYHULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3S/c1-12(2)11-15(8-9-18-5)19(16,17)10-6-7-14-13(3)4/h12-14H,6-11H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide?
N-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide has a molecular weight of 294.46 g/mol, XLogP of 1.31, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 54986230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).