4-[(dimethylsulfamoylamino)methyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridine

C10H17N3O4S — CID 5220876

IUPAC4-[(dimethylsulfamoylamino)methyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridine
SMILESCc1ncc(CO)c(CNS(=O)(=O)N(C)C)c1O
InChIInChI=1S/C10H17N3O4S/c1-7-10(15)9(8(6-14)4-11-7)5-12-18(16,17)13(2)3/h4,12,14-15H,5-6H2,1-3H3
InChIKeyXRHDMYUJMLCSGI-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.52
Rot. Bonds5

About 4-[(dimethylsulfamoylamino)methyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridine

4-[(dimethylsulfamoylamino)methyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridine (PubChem CID 5220876) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-[(dimethylsulfamoylamino)methyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridine.

Molecular Properties

Compound Name4-[(dimethylsulfamoylamino)methyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridine
PubChem CID5220876
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name4-[(dimethylsulfamoylamino)methyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridine
SMILESCc1ncc(CO)c(CNS(=O)(=O)N(C)C)c1O
InChIInChI=1S/C10H17N3O4S/c1-7-10(15)9(8(6-14)4-11-7)5-12-18(16,17)13(2)3/h4,12,14-15H,5-6H2,1-3H3
InChIKeyXRHDMYUJMLCSGI-UHFFFAOYSA-N
XLogP-0.52
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol
CID 144604155
3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]propane-1-sulfonic acid
CID 13274849
potassium 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]ethanesulfonate
CID 23682896
2-(dimethylamino)-N'-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]acetohydrazide
CID 24838515
4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 54137000
5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol
CID 116686483
2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850733
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
CID 68776255
4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 116686363
5-(hydroxymethyl)-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol
CID 116686454
N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one
CID 158855996
2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-methylpropanamide
CID 116686347

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylsulfamoylamino)methyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridine?
The IUPAC name of 4-[(dimethylsulfamoylamino)methyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridine (CID 5220876) is 4-[(dimethylsulfamoylamino)methyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridine.
What is the SMILES notation for 4-[(dimethylsulfamoylamino)methyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridine?
The canonical SMILES for 4-[(dimethylsulfamoylamino)methyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridine is Cc1ncc(CO)c(CNS(=O)(=O)N(C)C)c1O.
What is the InChIKey of 4-[(dimethylsulfamoylamino)methyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridine?
The InChIKey is XRHDMYUJMLCSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-7-10(15)9(8(6-14)4-11-7)5-12-18(16,17)13(2)3/h4,12,14-15H,5-6H2,1-3H3.
What are the key properties of 4-[(dimethylsulfamoylamino)methyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridine?
4-[(dimethylsulfamoylamino)methyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridine has a molecular weight of 275.33 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylsulfamoylamino)methyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridine is sourced from PubChem (CID 5220876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).