N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide

C14H29N3O2S — CID 105419208

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)CC2CCCCN2)CCC1
InChIInChI=1S/C14H29N3O2S/c1-16(2)14(8-6-9-14)12-17(3)20(18,19)11-13-7-4-5-10-15-13/h13,15H,4-12H2,1-3H3
InChIKeyIHPCEIPSAMTGNF-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.87
Rot. Bonds6

About N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide (PubChem CID 105419208) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
PubChem CID105419208
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)CC2CCCCN2)CCC1
InChIInChI=1S/C14H29N3O2S/c1-16(2)14(8-6-9-14)12-17(3)20(18,19)11-13-7-4-5-10-15-13/h13,15H,4-12H2,1-3H3
InChIKeyIHPCEIPSAMTGNF-UHFFFAOYSA-N
XLogP0.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 114950260
N-[2-(dimethylamino)ethyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 55227545
N-(cyclobutylmethyl)-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 55125771
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 105419192
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-piperidin-2-ylacetamide
CID 105418352
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethanesulfonamide
CID 105420670
N-methyl-1-piperidin-2-yl-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 81057169
N-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972486
N-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 112661633
N,N-dimethyl-1-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclobutan-1-amine
CID 105414670
N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide
CID 107870369
N-methyl-N-(piperidin-2-ylmethyl)propane-1-sulfonamide
CID 106630421

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide (CID 105419208) is N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide is CN(C)C1(CN(C)S(=O)(=O)CC2CCCCN2)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is IHPCEIPSAMTGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-16(2)14(8-6-9-14)12-17(3)20(18,19)11-13-7-4-5-10-15-13/h13,15H,4-12H2,1-3H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 303.47 g/mol, XLogP of 0.87, 6 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-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 105419208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).