1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclopentan-1-ol

C12H23NO3S — CID 65105166

IUPAC1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1NCC1(O)CCCC1
InChIInChI=1S/C12H23NO3S/c1-17(15,16)11-6-4-5-10(11)13-9-12(14)7-2-3-8-12/h10-11,13-14H,2-9H2,1H3
InChIKeyZTRUPQXINKODBM-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.85
Rot. Bonds4

About 1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclopentan-1-ol

1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclopentan-1-ol (PubChem CID 65105166) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclopentan-1-ol
PubChem CID65105166
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1NCC1(O)CCCC1
InChIInChI=1S/C12H23NO3S/c1-17(15,16)11-6-4-5-10(11)13-9-12(14)7-2-3-8-12/h10-11,13-14H,2-9H2,1H3
InChIKeyZTRUPQXINKODBM-UHFFFAOYSA-N
XLogP0.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclopentan-1-ol (CID 65105166) is 1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclopentan-1-ol is CS(=O)(=O)C1CCCC1NCC1(O)CCCC1.
What is the InChIKey of 1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is ZTRUPQXINKODBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-17(15,16)11-6-4-5-10(11)13-9-12(14)7-2-3-8-12/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclopentan-1-ol?
1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65105166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).