N-[3-(dimethylamino)propyl]-N-methyl-1-piperidin-3-ylmethanesulfonamide

C12H27N3O2S — CID 63700437

IUPACN-[3-(dimethylamino)propyl]-N-methyl-1-piperidin-3-ylmethanesulfonamide
SMILESCN(C)CCCN(C)S(=O)(=O)CC1CCCNC1
InChIInChI=1S/C12H27N3O2S/c1-14(2)8-5-9-15(3)18(16,17)11-12-6-4-7-13-10-12/h12-13H,4-11H2,1-3H3
InChIKeyOODKVGXEMRZADC-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.20
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-N-methyl-1-piperidin-3-ylmethanesulfonamide

N-[3-(dimethylamino)propyl]-N-methyl-1-piperidin-3-ylmethanesulfonamide (PubChem CID 63700437) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-methyl-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-methyl-1-piperidin-3-ylmethanesulfonamide
PubChem CID63700437
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-[3-(dimethylamino)propyl]-N-methyl-1-piperidin-3-ylmethanesulfonamide
SMILESCN(C)CCCN(C)S(=O)(=O)CC1CCCNC1
InChIInChI=1S/C12H27N3O2S/c1-14(2)8-5-9-15(3)18(16,17)11-12-6-4-7-13-10-12/h12-13H,4-11H2,1-3H3
InChIKeyOODKVGXEMRZADC-UHFFFAOYSA-N
XLogP0.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-methyl-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 106630892
N,N,N'-trimethyl-N'-(3-piperidin-3-ylpropyl)propane-1,3-diamine
CID 63699039
N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 63701090
N-(2-hydroxyethyl)-1-piperidin-3-yl-N-propylmethanesulfonamide
CID 54972143
N-butyl-N-methyl-2-(piperidin-3-ylmethylsulfonyl)acetamide
CID 82182087
N-ethyl-N-(2-methoxyethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54971951
3-(butylsulfonylmethyl)piperidine
CID 82182109
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
CID 106631342
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 106630965
N-methyl-3-methylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 104870274
N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide
CID 106631296
N-cyclopropyl-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 106631170

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-methyl-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-methyl-1-piperidin-3-ylmethanesulfonamide (CID 63700437) is N-[3-(dimethylamino)propyl]-N-methyl-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-methyl-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-methyl-1-piperidin-3-ylmethanesulfonamide is CN(C)CCCN(C)S(=O)(=O)CC1CCCNC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-methyl-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is OODKVGXEMRZADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-14(2)8-5-9-15(3)18(16,17)11-12-6-4-7-13-10-12/h12-13H,4-11H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-methyl-1-piperidin-3-ylmethanesulfonamide?
N-[3-(dimethylamino)propyl]-N-methyl-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-methyl-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 63700437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).