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

C14H31N3O2S — CID 105421428

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H31N3O2S/c1-12(2)15-10-13(3)20(18,19)17(6)11-14(16(4)5)8-7-9-14/h12-13,15H,7-11H2,1-6H3
InChIKeyMAHLMENJBFOBLP-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.12
Rot. Bonds8

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

N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 105421428) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID105421428
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H31N3O2S/c1-12(2)15-10-13(3)20(18,19)17(6)11-14(16(4)5)8-7-9-14/h12-13,15H,7-11H2,1-6H3
InChIKeyMAHLMENJBFOBLP-UHFFFAOYSA-N
XLogP1.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106087102
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(propan-2-ylamino)butane-1-sulfonamide
CID 105421445
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethanesulfonamide
CID 105420670
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
N'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine
CID 105416138
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperazine-1-sulfonamide
CID 105415384
(2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide
CID 105417719
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide
CID 105418482
1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine
CID 105417765
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 105418216
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propanamide
CID 105416404

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-(propan-2-ylamino)propane-2-sulfonamide (CID 105421428) is N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-(propan-2-ylamino)propane-2-sulfonamide is CC(C)NCC(C)S(=O)(=O)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is MAHLMENJBFOBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-12(2)15-10-13(3)20(18,19)17(6)11-14(16(4)5)8-7-9-14/h12-13,15H,7-11H2,1-6H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-(propan-2-ylamino)propane-2-sulfonamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 305.49 g/mol, XLogP of 1.12, 8 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-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 105421428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).