N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(propan-2-ylamino)butane-1-sulfonamide

C15H33N3O2S — CID 105421445

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C15H33N3O2S/c1-14(2)16-11-6-7-12-21(19,20)18(5)13-15(17(3)4)9-8-10-15/h14,16H,6-13H2,1-5H3
InChIKeySRAVQKYUVQEVLS-UHFFFAOYSA-N
MW319.52 g/mol
LogP1.51
Rot. Bonds10

About N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(propan-2-ylamino)butane-1-sulfonamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(propan-2-ylamino)butane-1-sulfonamide (PubChem CID 105421445) has the molecular formula C15H33N3O2S and a molecular weight of 319.52 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(propan-2-ylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(propan-2-ylamino)butane-1-sulfonamide
PubChem CID105421445
Molecular FormulaC15H33N3O2S
Molecular Weight319.52 g/mol
Exact Mass319.23
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C15H33N3O2S/c1-14(2)16-11-6-7-12-21(19,20)18(5)13-15(17(3)4)9-8-10-15/h14,16H,6-13H2,1-5H3
InChIKeySRAVQKYUVQEVLS-UHFFFAOYSA-N
XLogP1.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 51.51
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-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethanesulfonamide
CID 105420670
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-(propan-2-ylamino)propane-2-sulfonamide
CID 105421428
N-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide
CID 81067991
N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972433
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 63010138
6-methylsulfonyl-N-propan-2-ylhexan-1-amine
CID 64505621
N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide
CID 165444690
N'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine
CID 105416138
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106087102
N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973831
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106088421

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(propan-2-ylamino)butane-1-sulfonamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(propan-2-ylamino)butane-1-sulfonamide (CID 105421445) is N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(propan-2-ylamino)butane-1-sulfonamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(propan-2-ylamino)butane-1-sulfonamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(propan-2-ylamino)butane-1-sulfonamide is CC(C)NCCCCS(=O)(=O)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(propan-2-ylamino)butane-1-sulfonamide?
The InChIKey is SRAVQKYUVQEVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2S/c1-14(2)16-11-6-7-12-21(19,20)18(5)13-15(17(3)4)9-8-10-15/h14,16H,6-13H2,1-5H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(propan-2-ylamino)butane-1-sulfonamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(propan-2-ylamino)butane-1-sulfonamide has a molecular weight of 319.52 g/mol, XLogP of 1.51, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(propan-2-ylamino)butane-1-sulfonamide is sourced from PubChem (CID 105421445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).