N,N-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-sulfonamide

C14H29N3O2S — CID 20930311

IUPACN,N-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-sulfonamide
SMILESCC1CCN(CC2CCN(S(=O)(=O)N(C)C)CC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-13-4-8-16(9-5-13)12-14-6-10-17(11-7-14)20(18,19)15(2)3/h13-14H,4-12H2,1-3H3
InChIKeyHEOLUONOZUDSGP-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.24
Rot. Bonds4

About N,N-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-sulfonamide

N,N-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-sulfonamide (PubChem CID 20930311) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-sulfonamide
PubChem CID20930311
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN,N-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-sulfonamide
SMILESCC1CCN(CC2CCN(S(=O)(=O)N(C)C)CC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-13-4-8-16(9-5-13)12-14-6-10-17(11-7-14)20(18,19)15(2)3/h13-14H,4-12H2,1-3H3
InChIKeyHEOLUONOZUDSGP-UHFFFAOYSA-N
XLogP1.24
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-sulfonamide (CID 20930311) is N,N-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-sulfonamide is CC1CCN(CC2CCN(S(=O)(=O)N(C)C)CC2)CC1.
What is the InChIKey of N,N-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is HEOLUONOZUDSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-13-4-8-16(9-5-13)12-14-6-10-17(11-7-14)20(18,19)15(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-sulfonamide?
N,N-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 303.47 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 20930311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).