1-(1-amino-2-methylbutan-2-yl)-2-methylsulfonylcyclopentan-1-ol

C11H23NO3S — CID 79125784

IUPAC1-(1-amino-2-methylbutan-2-yl)-2-methylsulfonylcyclopentan-1-ol
SMILESCCC(C)(CN)C1(O)CCCC1S(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-4-10(2,8-12)11(13)7-5-6-9(11)16(3,14)15/h9,13H,4-8,12H2,1-3H3
InChIKeyNMSTZSGBEZAOBJ-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.69
Rot. Bonds4

About 1-(1-amino-2-methylbutan-2-yl)-2-methylsulfonylcyclopentan-1-ol

1-(1-amino-2-methylbutan-2-yl)-2-methylsulfonylcyclopentan-1-ol (PubChem CID 79125784) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(1-amino-2-methylbutan-2-yl)-2-methylsulfonylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(1-amino-2-methylbutan-2-yl)-2-methylsulfonylcyclopentan-1-ol
PubChem CID79125784
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name1-(1-amino-2-methylbutan-2-yl)-2-methylsulfonylcyclopentan-1-ol
SMILESCCC(C)(CN)C1(O)CCCC1S(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-4-10(2,8-12)11(13)7-5-6-9(11)16(3,14)15/h9,13H,4-8,12H2,1-3H3
InChIKeyNMSTZSGBEZAOBJ-UHFFFAOYSA-N
XLogP0.69
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylbutan-2-yl)-2-methylsulfonylcyclopentan-1-ol?
The IUPAC name of 1-(1-amino-2-methylbutan-2-yl)-2-methylsulfonylcyclopentan-1-ol (CID 79125784) is 1-(1-amino-2-methylbutan-2-yl)-2-methylsulfonylcyclopentan-1-ol.
What is the SMILES notation for 1-(1-amino-2-methylbutan-2-yl)-2-methylsulfonylcyclopentan-1-ol?
The canonical SMILES for 1-(1-amino-2-methylbutan-2-yl)-2-methylsulfonylcyclopentan-1-ol is CCC(C)(CN)C1(O)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-(1-amino-2-methylbutan-2-yl)-2-methylsulfonylcyclopentan-1-ol?
The InChIKey is NMSTZSGBEZAOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-4-10(2,8-12)11(13)7-5-6-9(11)16(3,14)15/h9,13H,4-8,12H2,1-3H3.
What are the key properties of 1-(1-amino-2-methylbutan-2-yl)-2-methylsulfonylcyclopentan-1-ol?
1-(1-amino-2-methylbutan-2-yl)-2-methylsulfonylcyclopentan-1-ol has a molecular weight of 249.38 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylbutan-2-yl)-2-methylsulfonylcyclopentan-1-ol is sourced from PubChem (CID 79125784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).