3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol

C12H18N2O3S — CID 106545898

IUPAC3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol
SMILESCS(=O)(=O)c1cccnc1NCC1CCC(O)C1
InChIInChI=1S/C12H18N2O3S/c1-18(16,17)11-3-2-6-13-12(11)14-8-9-4-5-10(15)7-9/h2-3,6,9-10,15H,4-5,7-8H2,1H3,(H,13,14)
InChIKeySLQYQJYPYZPBSR-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.06
Rot. Bonds4

About 3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol

3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol (PubChem CID 106545898) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol
PubChem CID106545898
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol
SMILESCS(=O)(=O)c1cccnc1NCC1CCC(O)C1
InChIInChI=1S/C12H18N2O3S/c1-18(16,17)11-3-2-6-13-12(11)14-8-9-4-5-10(15)7-9/h2-3,6,9-10,15H,4-5,7-8H2,1H3,(H,13,14)
InChIKeySLQYQJYPYZPBSR-UHFFFAOYSA-N
XLogP1.06
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol (CID 106545898) is 3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol is CS(=O)(=O)c1cccnc1NCC1CCC(O)C1.
What is the InChIKey of 3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is SLQYQJYPYZPBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-18(16,17)11-3-2-6-13-12(11)14-8-9-4-5-10(15)7-9/h2-3,6,9-10,15H,4-5,7-8H2,1H3,(H,13,14).
What are the key properties of 3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol?
3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 270.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106545898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).