(2S)-2-[6-(dimethylamino)-2-pyridinyl]-N,N-dimethylmorpholine-4-sulfonamide

C13H22N4O3S — CID 125014937

IUPAC(2S)-2-[6-(dimethylamino)-2-pyridinyl]-N,N-dimethylmorpholine-4-sulfonamide
SMILESCN(C)c1cccc([C@@H]2CN(S(=O)(=O)N(C)C)CCO2)n1
InChIInChI=1S/C13H22N4O3S/c1-15(2)13-7-5-6-11(14-13)12-10-17(8-9-20-12)21(18,19)16(3)4/h5-7,12H,8-10H2,1-4H3/t12-/m0/s1
InChIKeyWPWVXTUHHZLZBW-LBPRGKRZSA-N
MW314.41 g/mol
LogP0.33
Rot. Bonds4

About (2S)-2-[6-(dimethylamino)-2-pyridinyl]-N,N-dimethylmorpholine-4-sulfonamide

(2S)-2-[6-(dimethylamino)-2-pyridinyl]-N,N-dimethylmorpholine-4-sulfonamide (PubChem CID 125014937) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is (2S)-2-[6-(dimethylamino)-2-pyridinyl]-N,N-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2S)-2-[6-(dimethylamino)-2-pyridinyl]-N,N-dimethylmorpholine-4-sulfonamide
PubChem CID125014937
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name(2S)-2-[6-(dimethylamino)-2-pyridinyl]-N,N-dimethylmorpholine-4-sulfonamide
SMILESCN(C)c1cccc([C@@H]2CN(S(=O)(=O)N(C)C)CCO2)n1
InChIInChI=1S/C13H22N4O3S/c1-15(2)13-7-5-6-11(14-13)12-10-17(8-9-20-12)21(18,19)16(3)4/h5-7,12H,8-10H2,1-4H3/t12-/m0/s1
InChIKeyWPWVXTUHHZLZBW-LBPRGKRZSA-N
XLogP0.33
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-(2-methylpyrimidin-4-yl)morpholine-4-sulfonamide
CID 110096221
2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-N,N-dimethylmorpholine-4-sulfonamide
CID 110093067
2-(2,6-dimethylpyrimidin-4-yl)-N,N-dimethylmorpholine-4-sulfonamide
CID 110115941
N,N-dimethyl-2-(4-methylphenyl)morpholine-4-sulfonamide
CID 110326565
2-(4-chlorophenyl)-N,N-dimethylmorpholine-4-sulfonamide
CID 47320271
N,N-dimethyl-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-sulfonamide
CID 127249076
2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
CID 127250740
[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 124950048
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-thiophen-2-ylmethanone
CID 124997234
(2S)-N,N-dimethyl-2-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-sulfonamide
CID 125015961
(2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
CID 124968540
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 125008999

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[6-(dimethylamino)-2-pyridinyl]-N,N-dimethylmorpholine-4-sulfonamide?
The IUPAC name of (2S)-2-[6-(dimethylamino)-2-pyridinyl]-N,N-dimethylmorpholine-4-sulfonamide (CID 125014937) is (2S)-2-[6-(dimethylamino)-2-pyridinyl]-N,N-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2S)-2-[6-(dimethylamino)-2-pyridinyl]-N,N-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for (2S)-2-[6-(dimethylamino)-2-pyridinyl]-N,N-dimethylmorpholine-4-sulfonamide is CN(C)c1cccc([C@@H]2CN(S(=O)(=O)N(C)C)CCO2)n1.
What is the InChIKey of (2S)-2-[6-(dimethylamino)-2-pyridinyl]-N,N-dimethylmorpholine-4-sulfonamide?
The InChIKey is WPWVXTUHHZLZBW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-15(2)13-7-5-6-11(14-13)12-10-17(8-9-20-12)21(18,19)16(3)4/h5-7,12H,8-10H2,1-4H3/t12-/m0/s1.
What are the key properties of (2S)-2-[6-(dimethylamino)-2-pyridinyl]-N,N-dimethylmorpholine-4-sulfonamide?
(2S)-2-[6-(dimethylamino)-2-pyridinyl]-N,N-dimethylmorpholine-4-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[6-(dimethylamino)-2-pyridinyl]-N,N-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 125014937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).