(3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide

C18H26N6O2S — CID 95838129

IUPAC(3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](CCc2ccnc(Nc3cnccn3)c2)C1
InChIInChI=1S/C18H26N6O2S/c1-23(2)27(25,26)24-11-3-4-16(14-24)6-5-15-7-8-20-17(12-15)22-18-13-19-9-10-21-18/h7-10,12-13,16H,3-6,11,14H2,1-2H3,(H,20,21,22)/t16-/m1/s1
InChIKeyGSKBTNMDQLCKIN-MRXNPFEDSA-N
MW390.51 g/mol
LogP2.07
Rot. Bonds7

About (3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide

(3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide (PubChem CID 95838129) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide
PubChem CID95838129
Molecular FormulaC18H26N6O2S
Molecular Weight390.51 g/mol
Exact Mass390.18
IUPAC Name(3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](CCc2ccnc(Nc3cnccn3)c2)C1
InChIInChI=1S/C18H26N6O2S/c1-23(2)27(25,26)24-11-3-4-16(14-24)6-5-15-7-8-20-17(12-15)22-18-13-19-9-10-21-18/h7-10,12-13,16H,3-6,11,14H2,1-2H3,(H,20,21,22)/t16-/m1/s1
InChIKeyGSKBTNMDQLCKIN-MRXNPFEDSA-N
XLogP2.07
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide with MolForge

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Related Compounds

2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 95842851
[(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95838117
[3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110267556
3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 45174478
N-[4-(2-piperidin-3-ylethyl)-2-pyridinyl]pyrazin-2-amine;hydrochloride
CID 71298941
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine
CID 110256844
(3S)-3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 26411785
(3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 26393154
(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 125014655
N,N-dimethyl-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-sulfonamide
CID 110103613
N,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
CID 124971029
N,N-dimethyl-2-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110097688

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide?
The IUPAC name of (3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide (CID 95838129) is (3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for (3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide?
The canonical SMILES for (3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC[C@H](CCc2ccnc(Nc3cnccn3)c2)C1.
What is the InChIKey of (3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide?
The InChIKey is GSKBTNMDQLCKIN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-23(2)27(25,26)24-11-3-4-16(14-24)6-5-15-7-8-20-17(12-15)22-18-13-19-9-10-21-18/h7-10,12-13,16H,3-6,11,14H2,1-2H3,(H,20,21,22)/t16-/m1/s1.
What are the key properties of (3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide?
(3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 95838129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).