2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine

C13H20N4O5S — CID 118769440

IUPAC2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine
SMILESCN(C)S(=O)(=O)N[C@@H]1CCN(C(=O)c2ncccc2O)C[C@H]1O
InChIInChI=1S/C13H20N4O5S/c1-16(2)23(21,22)15-9-5-7-17(8-11(9)19)13(20)12-10(18)4-3-6-14-12/h3-4,6,9,11,15,18-19H,5,7-8H2,1-2H3/t9-,11-/m1/s1
InChIKeyGIXJYEDYRMUQTF-MWLCHTKSSA-N
MW344.39 g/mol
LogP-1.24
Rot. Bonds4

About 2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine

2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine (PubChem CID 118769440) has the molecular formula C13H20N4O5S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine.

Molecular Properties

Compound Name2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine
PubChem CID118769440
Molecular FormulaC13H20N4O5S
Molecular Weight344.39 g/mol
Exact Mass344.12
IUPAC Name2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine
SMILESCN(C)S(=O)(=O)N[C@@H]1CCN(C(=O)c2ncccc2O)C[C@H]1O
InChIInChI=1S/C13H20N4O5S/c1-16(2)23(21,22)15-9-5-7-17(8-11(9)19)13(20)12-10(18)4-3-6-14-12/h3-4,6,9,11,15,18-19H,5,7-8H2,1-2H3/t9-,11-/m1/s1
InChIKeyGIXJYEDYRMUQTF-MWLCHTKSSA-N
XLogP-1.24
TPSA123.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine
CID 118790702
(3-hydroxypiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 60923940
methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate
CID 78919789
[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 104954674
[4-(ethylaminomethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 80552354
(3-hydroxy-2-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205969
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 66291772
N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 107518487
(3-hydroxy-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66372247
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863356
(2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 115665116

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine?
The IUPAC name of 2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine (CID 118769440) is 2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine.
What is the SMILES notation for 2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine?
The canonical SMILES for 2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine is CN(C)S(=O)(=O)N[C@@H]1CCN(C(=O)c2ncccc2O)C[C@H]1O.
What is the InChIKey of 2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine?
The InChIKey is GIXJYEDYRMUQTF-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H20N4O5S/c1-16(2)23(21,22)15-9-5-7-17(8-11(9)19)13(20)12-10(18)4-3-6-14-12/h3-4,6,9,11,15,18-19H,5,7-8H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of 2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine?
2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine has a molecular weight of 344.39 g/mol, XLogP of -1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine is sourced from PubChem (CID 118769440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).