1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol

C14H21NO3S — CID 115868665

IUPAC1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H21NO3S/c1-15(11-14(16)9-5-6-10-14)12-7-3-4-8-13(12)19(2,17)18/h3-4,7-8,16H,5-6,9-11H2,1-2H3
InChIKeyNHJJEQLBODMISK-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.83
Rot. Bonds4

About 1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol

1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol (PubChem CID 115868665) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol
PubChem CID115868665
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H21NO3S/c1-15(11-14(16)9-5-6-10-14)12-7-3-4-8-13(12)19(2,17)18/h3-4,7-8,16H,5-6,9-11H2,1-2H3
InChIKeyNHJJEQLBODMISK-UHFFFAOYSA-N
XLogP1.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol (CID 115868665) is 1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1ccccc1S(C)(=O)=O.
What is the InChIKey of 1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol?
The InChIKey is NHJJEQLBODMISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-15(11-14(16)9-5-6-10-14)12-7-3-4-8-13(12)19(2,17)18/h3-4,7-8,16H,5-6,9-11H2,1-2H3.
What are the key properties of 1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol?
1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol has a molecular weight of 283.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 115868665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).