1-[(2-methylpropylamino)methyl]-2-methylsulfonylcyclopentan-1-ol

C11H23NO3S — CID 65049897

IUPAC1-[(2-methylpropylamino)methyl]-2-methylsulfonylcyclopentan-1-ol
SMILESCC(C)CNCC1(O)CCCC1S(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-9(2)7-12-8-11(13)6-4-5-10(11)16(3,14)15/h9-10,12-13H,4-8H2,1-3H3
InChIKeyWVMMHHZYTVFRBZ-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.56
Rot. Bonds5

About 1-[(2-methylpropylamino)methyl]-2-methylsulfonylcyclopentan-1-ol

1-[(2-methylpropylamino)methyl]-2-methylsulfonylcyclopentan-1-ol (PubChem CID 65049897) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-[(2-methylpropylamino)methyl]-2-methylsulfonylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2-methylpropylamino)methyl]-2-methylsulfonylcyclopentan-1-ol
PubChem CID65049897
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name1-[(2-methylpropylamino)methyl]-2-methylsulfonylcyclopentan-1-ol
SMILESCC(C)CNCC1(O)CCCC1S(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-9(2)7-12-8-11(13)6-4-5-10(11)16(3,14)15/h9-10,12-13H,4-8H2,1-3H3
InChIKeyWVMMHHZYTVFRBZ-UHFFFAOYSA-N
XLogP0.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylbutyl)-2-methylsulfonylcyclopentan-1-ol
CID 82928391
1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol
CID 79125934
2-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
CID 62772585
2-methylsulfonyl-1-(3,3,3-trifluoropropyl)cyclopentan-1-ol
CID 65049715
1-[(2-methylpropylamino)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62773562
1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65154190
2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
CID 64756673
1-benzyl-2-methylsulfonylcyclopentan-1-ol
CID 65049982
1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65153658
N-[[1-(cyclopentylmethyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196171
1-[(3,4-dimethylphenyl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65050312
1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine
CID 65045921

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropylamino)methyl]-2-methylsulfonylcyclopentan-1-ol?
The IUPAC name of 1-[(2-methylpropylamino)methyl]-2-methylsulfonylcyclopentan-1-ol (CID 65049897) is 1-[(2-methylpropylamino)methyl]-2-methylsulfonylcyclopentan-1-ol.
What is the SMILES notation for 1-[(2-methylpropylamino)methyl]-2-methylsulfonylcyclopentan-1-ol?
The canonical SMILES for 1-[(2-methylpropylamino)methyl]-2-methylsulfonylcyclopentan-1-ol is CC(C)CNCC1(O)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-[(2-methylpropylamino)methyl]-2-methylsulfonylcyclopentan-1-ol?
The InChIKey is WVMMHHZYTVFRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-9(2)7-12-8-11(13)6-4-5-10(11)16(3,14)15/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of 1-[(2-methylpropylamino)methyl]-2-methylsulfonylcyclopentan-1-ol?
1-[(2-methylpropylamino)methyl]-2-methylsulfonylcyclopentan-1-ol has a molecular weight of 249.38 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropylamino)methyl]-2-methylsulfonylcyclopentan-1-ol is sourced from PubChem (CID 65049897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).