(2S)-N,N-dimethyl-2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidine-1-sulfonamide

C15H26N4O2S — CID 125021160

IUPAC(2S)-N,N-dimethyl-2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidine-1-sulfonamide
SMILESCNc1cccc(CC[C@@H]2CCCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C15H26N4O2S/c1-16-15-9-6-7-13(17-15)10-11-14-8-4-5-12-19(14)22(20,21)18(2)3/h6-7,9,14H,4-5,8,10-12H2,1-3H3,(H,16,17)/t14-/m0/s1
InChIKeyYHVJRGKMXRWJAJ-AWEZNQCLSA-N
MW326.47 g/mol
LogP1.72
Rot. Bonds6

About (2S)-N,N-dimethyl-2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidine-1-sulfonamide

(2S)-N,N-dimethyl-2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidine-1-sulfonamide (PubChem CID 125021160) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidine-1-sulfonamide
PubChem CID125021160
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name(2S)-N,N-dimethyl-2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidine-1-sulfonamide
SMILESCNc1cccc(CC[C@@H]2CCCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C15H26N4O2S/c1-16-15-9-6-7-13(17-15)10-11-14-8-4-5-12-19(14)22(20,21)18(2)3/h6-7,9,14H,4-5,8,10-12H2,1-3H3,(H,16,17)/t14-/m0/s1
InChIKeyYHVJRGKMXRWJAJ-AWEZNQCLSA-N
XLogP1.72
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidine-1-sulfonamide?
The IUPAC name of (2S)-N,N-dimethyl-2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidine-1-sulfonamide (CID 125021160) is (2S)-N,N-dimethyl-2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidine-1-sulfonamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidine-1-sulfonamide is CNc1cccc(CC[C@@H]2CCCCN2S(=O)(=O)N(C)C)n1.
What is the InChIKey of (2S)-N,N-dimethyl-2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidine-1-sulfonamide?
The InChIKey is YHVJRGKMXRWJAJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-16-15-9-6-7-13(17-15)10-11-14-8-4-5-12-19(14)22(20,21)18(2)3/h6-7,9,14H,4-5,8,10-12H2,1-3H3,(H,16,17)/t14-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidine-1-sulfonamide?
(2S)-N,N-dimethyl-2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidine-1-sulfonamide has a molecular weight of 326.47 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 125021160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).