N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide

C13H29N3O2S — CID 63701090

IUPACN-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
SMILESCN(C)CCCN(C)S(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C13H29N3O2S/c1-15(2)10-4-11-16(3)19(17,18)12-7-13-5-8-14-9-6-13/h13-14H,4-12H2,1-3H3
InChIKeyWCRSWKJOBGLGEI-UHFFFAOYSA-N
MW291.46 g/mol
LogP0.59
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide

N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide (PubChem CID 63701090) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
PubChem CID63701090
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC NameN-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
SMILESCN(C)CCCN(C)S(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C13H29N3O2S/c1-15(2)10-4-11-16(3)19(17,18)12-7-13-5-8-14-9-6-13/h13-14H,4-12H2,1-3H3
InChIKeyWCRSWKJOBGLGEI-UHFFFAOYSA-N
XLogP0.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 55061183
2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide
CID 55173527
N-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide
CID 60890770
N-[3-(dimethylamino)propyl]-N-methyl-1-piperidin-3-ylmethanesulfonamide
CID 63700437
N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 61413367
N'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine
CID 102994383
N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylacetamide
CID 63693325
N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide
CID 61426140
4-(2-cyclopropylsulfonylethyl)piperidine
CID 84683146
N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107480045
N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide
CID 54974104
N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide
CID 63700740

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide (CID 63701090) is N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide is CN(C)CCCN(C)S(=O)(=O)CCC1CCNCC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide?
The InChIKey is WCRSWKJOBGLGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-15(2)10-4-11-16(3)19(17,18)12-7-13-5-8-14-9-6-13/h13-14H,4-12H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide?
N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide has a molecular weight of 291.46 g/mol, XLogP of 0.59, 8 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-2-piperidin-4-ylethanesulfonamide is sourced from PubChem (CID 63701090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).