N-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide

C13H30N2O3S — CID 81067991

IUPACN-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)N(C)CCOC(C)C
InChIInChI=1S/C13H30N2O3S/c1-12(2)14-8-6-7-11-19(16,17)15(5)9-10-18-13(3)4/h12-14H,6-11H2,1-5H3
InChIKeyJEMXJOVVMLALLU-UHFFFAOYSA-N
MW294.46 g/mol
LogP1.45
Rot. Bonds11

About N-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide

N-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide (PubChem CID 81067991) has the molecular formula C13H30N2O3S and a molecular weight of 294.46 g/mol. Its IUPAC name is N-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide
PubChem CID81067991
Molecular FormulaC13H30N2O3S
Molecular Weight294.46 g/mol
Exact Mass294.20
IUPAC NameN-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)N(C)CCOC(C)C
InChIInChI=1S/C13H30N2O3S/c1-12(2)14-8-6-7-11-19(16,17)15(5)9-10-18-13(3)4/h12-14H,6-11H2,1-5H3
InChIKeyJEMXJOVVMLALLU-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 63010138
N-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide
CID 79593859
N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine
CID 81068386
N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide
CID 165444690
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(propan-2-ylamino)butane-1-sulfonamide
CID 105421445
N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106052801
3-chloro-N,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide
CID 81061526
N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972433
N-(2-propan-2-yloxyethyl)propan-2-amine
CID 21034307
6-methylsulfonyl-N-propan-2-ylhexan-1-amine
CID 64505621
N-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54986230
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102994809

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide?
The IUPAC name of N-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide (CID 81067991) is N-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide.
What is the SMILES notation for N-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide?
The canonical SMILES for N-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide is CC(C)NCCCCS(=O)(=O)N(C)CCOC(C)C.
What is the InChIKey of N-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide?
The InChIKey is JEMXJOVVMLALLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3S/c1-12(2)14-8-6-7-11-19(16,17)15(5)9-10-18-13(3)4/h12-14H,6-11H2,1-5H3.
What are the key properties of N-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide?
N-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide has a molecular weight of 294.46 g/mol, XLogP of 1.45, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide is sourced from PubChem (CID 81067991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).