2-[(R)-[3-(dimethylsulfamoylamino)-4-methylphenyl]-hydroxymethyl]pyridine

C15H19N3O3S — CID 124737001

IUPAC2-[(R)-[3-(dimethylsulfamoylamino)-4-methylphenyl]-hydroxymethyl]pyridine
SMILESCc1ccc([C@@H](O)c2ccccn2)cc1NS(=O)(=O)N(C)C
InChIInChI=1S/C15H19N3O3S/c1-11-7-8-12(15(19)13-6-4-5-9-16-13)10-14(11)17-22(20,21)18(2)3/h4-10,15,17,19H,1-3H3/t15-/m1/s1
InChIKeyPMESGKSMSMJCNK-OAHLLOKOSA-N
MW321.40 g/mol
LogP1.69
Rot. Bonds5

About 2-[(R)-[3-(dimethylsulfamoylamino)-4-methylphenyl]-hydroxymethyl]pyridine

2-[(R)-[3-(dimethylsulfamoylamino)-4-methylphenyl]-hydroxymethyl]pyridine (PubChem CID 124737001) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[(R)-[3-(dimethylsulfamoylamino)-4-methylphenyl]-hydroxymethyl]pyridine.

Molecular Properties

Compound Name2-[(R)-[3-(dimethylsulfamoylamino)-4-methylphenyl]-hydroxymethyl]pyridine
PubChem CID124737001
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-[(R)-[3-(dimethylsulfamoylamino)-4-methylphenyl]-hydroxymethyl]pyridine
SMILESCc1ccc([C@@H](O)c2ccccn2)cc1NS(=O)(=O)N(C)C
InChIInChI=1S/C15H19N3O3S/c1-11-7-8-12(15(19)13-6-4-5-9-16-13)10-14(11)17-22(20,21)18(2)3/h4-10,15,17,19H,1-3H3/t15-/m1/s1
InChIKeyPMESGKSMSMJCNK-OAHLLOKOSA-N
XLogP1.69
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-(3,4-dimethylphenyl)-pyridin-2-ylmethanol
CID 94481789
(S)-(3,4-dimethylphenyl)-pyridin-2-ylmethanol
CID 94481788
(R)-(4-chloro-3-methylphenyl)-pyridin-2-ylmethanol
CID 97292925
2-(dimethylsulfamoylamino)-1,4-dimethylbenzene
CID 3889138
(S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol
CID 10680871
(S)-(3,5-dimethylphenyl)-pyridin-2-ylmethanol
CID 1203668
2-[(1R)-1-(dimethylsulfamoylamino)ethyl]pyridine
CID 94063709
4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene
CID 4635582
3-(dimethylsulfamoylamino)-4-methylbenzoic acid
CID 28788003
(3,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 14098122
pyridin-2-yl-(2,4,6-trimethylphenyl)methanol
CID 154106044
(5-methyl-3-pyridinyl)-pyridin-2-ylmethanol
CID 115373637

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-[3-(dimethylsulfamoylamino)-4-methylphenyl]-hydroxymethyl]pyridine?
The IUPAC name of 2-[(R)-[3-(dimethylsulfamoylamino)-4-methylphenyl]-hydroxymethyl]pyridine (CID 124737001) is 2-[(R)-[3-(dimethylsulfamoylamino)-4-methylphenyl]-hydroxymethyl]pyridine.
What is the SMILES notation for 2-[(R)-[3-(dimethylsulfamoylamino)-4-methylphenyl]-hydroxymethyl]pyridine?
The canonical SMILES for 2-[(R)-[3-(dimethylsulfamoylamino)-4-methylphenyl]-hydroxymethyl]pyridine is Cc1ccc([C@@H](O)c2ccccn2)cc1NS(=O)(=O)N(C)C.
What is the InChIKey of 2-[(R)-[3-(dimethylsulfamoylamino)-4-methylphenyl]-hydroxymethyl]pyridine?
The InChIKey is PMESGKSMSMJCNK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-7-8-12(15(19)13-6-4-5-9-16-13)10-14(11)17-22(20,21)18(2)3/h4-10,15,17,19H,1-3H3/t15-/m1/s1.
What are the key properties of 2-[(R)-[3-(dimethylsulfamoylamino)-4-methylphenyl]-hydroxymethyl]pyridine?
2-[(R)-[3-(dimethylsulfamoylamino)-4-methylphenyl]-hydroxymethyl]pyridine has a molecular weight of 321.40 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-[3-(dimethylsulfamoylamino)-4-methylphenyl]-hydroxymethyl]pyridine is sourced from PubChem (CID 124737001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).