[5-(aminomethyl)-3-methoxy-2-methylsulfonyl-4-pyridinyl]methanol

C9H14N2O4S — CID 68963442

IUPAC[5-(aminomethyl)-3-methoxy-2-methylsulfonyl-4-pyridinyl]methanol
SMILESCOc1c(S(C)(=O)=O)ncc(CN)c1CO
InChIInChI=1S/C9H14N2O4S/c1-15-8-7(5-12)6(3-10)4-11-9(8)16(2,13)14/h4,12H,3,5,10H2,1-2H3
InChIKeyXKWUZPSTCBWMQC-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.56
Rot. Bonds4

About [5-(aminomethyl)-3-methoxy-2-methylsulfonyl-4-pyridinyl]methanol

[5-(aminomethyl)-3-methoxy-2-methylsulfonyl-4-pyridinyl]methanol (PubChem CID 68963442) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is [5-(aminomethyl)-3-methoxy-2-methylsulfonyl-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(aminomethyl)-3-methoxy-2-methylsulfonyl-4-pyridinyl]methanol
PubChem CID68963442
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Name[5-(aminomethyl)-3-methoxy-2-methylsulfonyl-4-pyridinyl]methanol
SMILESCOc1c(S(C)(=O)=O)ncc(CN)c1CO
InChIInChI=1S/C9H14N2O4S/c1-15-8-7(5-12)6(3-10)4-11-9(8)16(2,13)14/h4,12H,3,5,10H2,1-2H3
InChIKeyXKWUZPSTCBWMQC-UHFFFAOYSA-N
XLogP-0.56
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-3-methoxy-2-methylsulfonyl-4-pyridinyl]methanol?
The IUPAC name of [5-(aminomethyl)-3-methoxy-2-methylsulfonyl-4-pyridinyl]methanol (CID 68963442) is [5-(aminomethyl)-3-methoxy-2-methylsulfonyl-4-pyridinyl]methanol.
What is the SMILES notation for [5-(aminomethyl)-3-methoxy-2-methylsulfonyl-4-pyridinyl]methanol?
The canonical SMILES for [5-(aminomethyl)-3-methoxy-2-methylsulfonyl-4-pyridinyl]methanol is COc1c(S(C)(=O)=O)ncc(CN)c1CO.
What is the InChIKey of [5-(aminomethyl)-3-methoxy-2-methylsulfonyl-4-pyridinyl]methanol?
The InChIKey is XKWUZPSTCBWMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-15-8-7(5-12)6(3-10)4-11-9(8)16(2,13)14/h4,12H,3,5,10H2,1-2H3.
What are the key properties of [5-(aminomethyl)-3-methoxy-2-methylsulfonyl-4-pyridinyl]methanol?
[5-(aminomethyl)-3-methoxy-2-methylsulfonyl-4-pyridinyl]methanol has a molecular weight of 246.29 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-3-methoxy-2-methylsulfonyl-4-pyridinyl]methanol is sourced from PubChem (CID 68963442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).