1-[(4-amino-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-ol

C12H18N2O3S — CID 65050307

IUPAC1-[(4-amino-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)Cc1cnccc1N
InChIInChI=1S/C12H18N2O3S/c1-18(16,17)11-3-2-5-12(11,15)7-9-8-14-6-4-10(9)13/h4,6,8,11,15H,2-3,5,7H2,1H3,(H2,13,14)
InChIKeyIADYEYYVDDYUQE-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.53
Rot. Bonds3

About 1-[(4-amino-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-ol

1-[(4-amino-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-ol (PubChem CID 65050307) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-[(4-amino-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(4-amino-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-ol
PubChem CID65050307
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name1-[(4-amino-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)Cc1cnccc1N
InChIInChI=1S/C12H18N2O3S/c1-18(16,17)11-3-2-5-12(11,15)7-9-8-14-6-4-10(9)13/h4,6,8,11,15H,2-3,5,7H2,1H3,(H2,13,14)
InChIKeyIADYEYYVDDYUQE-UHFFFAOYSA-N
XLogP0.53
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-ol?
The IUPAC name of 1-[(4-amino-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-ol (CID 65050307) is 1-[(4-amino-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-ol.
What is the SMILES notation for 1-[(4-amino-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-ol?
The canonical SMILES for 1-[(4-amino-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-ol is CS(=O)(=O)C1CCCC1(O)Cc1cnccc1N.
What is the InChIKey of 1-[(4-amino-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-ol?
The InChIKey is IADYEYYVDDYUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-18(16,17)11-3-2-5-12(11,15)7-9-8-14-6-4-10(9)13/h4,6,8,11,15H,2-3,5,7H2,1H3,(H2,13,14).
What are the key properties of 1-[(4-amino-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-ol?
1-[(4-amino-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-ol has a molecular weight of 270.35 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-ol is sourced from PubChem (CID 65050307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).