N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide

C14H29N3O2S — CID 107164560

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
SMILESCN1CCC(C)(CNS(=O)(=O)CC2CCCNC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-14(5-8-17(2)9-6-14)12-16-20(18,19)11-13-4-3-7-15-10-13/h13,15-16H,3-12H2,1-2H3
InChIKeyGPWXWZWLTFJVDQ-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.64
Rot. Bonds5

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide

N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide (PubChem CID 107164560) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
PubChem CID107164560
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
SMILESCN1CCC(C)(CNS(=O)(=O)CC2CCCNC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-14(5-8-17(2)9-6-14)12-16-20(18,19)11-13-4-3-7-15-10-13/h13,15-16H,3-12H2,1-2H3
InChIKeyGPWXWZWLTFJVDQ-UHFFFAOYSA-N
XLogP0.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide
CID 107164552
N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 114116779
1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride
CID 120876267
1-cyclopropyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride
CID 120720655
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
N-[(1,4-dimethylpiperidin-4-yl)methyl]piperidine-3-carboxamide
CID 107163930
N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide
CID 106222713
N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 82873939
N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 114111424
N-morpholin-4-yl-1-piperidin-3-ylmethanesulfonamide
CID 83026477
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
CID 55201911
N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 114400701

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide (CID 107164560) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide is CN1CCC(C)(CNS(=O)(=O)CC2CCCNC2)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is GPWXWZWLTFJVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-14(5-8-17(2)9-6-14)12-16-20(18,19)11-13-4-3-7-15-10-13/h13,15-16H,3-12H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 303.47 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 107164560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).