1-[[3-ethylsulfonylpropyl(methyl)amino]methyl]cyclopentan-1-ol

C12H25NO3S — CID 113321852

IUPAC1-[[3-ethylsulfonylpropyl(methyl)amino]methyl]cyclopentan-1-ol
SMILESCCS(=O)(=O)CCCN(C)CC1(O)CCCC1
InChIInChI=1S/C12H25NO3S/c1-3-17(15,16)10-6-9-13(2)11-12(14)7-4-5-8-12/h14H,3-11H2,1-2H3
InChIKeyKMWICKUBPOZFSK-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.05
Rot. Bonds7

About 1-[[3-ethylsulfonylpropyl(methyl)amino]methyl]cyclopentan-1-ol

1-[[3-ethylsulfonylpropyl(methyl)amino]methyl]cyclopentan-1-ol (PubChem CID 113321852) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-[[3-ethylsulfonylpropyl(methyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[3-ethylsulfonylpropyl(methyl)amino]methyl]cyclopentan-1-ol
PubChem CID113321852
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name1-[[3-ethylsulfonylpropyl(methyl)amino]methyl]cyclopentan-1-ol
SMILESCCS(=O)(=O)CCCN(C)CC1(O)CCCC1
InChIInChI=1S/C12H25NO3S/c1-3-17(15,16)10-6-9-13(2)11-12(14)7-4-5-8-12/h14H,3-11H2,1-2H3
InChIKeyKMWICKUBPOZFSK-UHFFFAOYSA-N
XLogP1.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-ethylsulfonylpropyl(methyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[3-ethylsulfonylpropyl(methyl)amino]methyl]cyclopentan-1-ol (CID 113321852) is 1-[[3-ethylsulfonylpropyl(methyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[3-ethylsulfonylpropyl(methyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[3-ethylsulfonylpropyl(methyl)amino]methyl]cyclopentan-1-ol is CCS(=O)(=O)CCCN(C)CC1(O)CCCC1.
What is the InChIKey of 1-[[3-ethylsulfonylpropyl(methyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is KMWICKUBPOZFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-3-17(15,16)10-6-9-13(2)11-12(14)7-4-5-8-12/h14H,3-11H2,1-2H3.
What are the key properties of 1-[[3-ethylsulfonylpropyl(methyl)amino]methyl]cyclopentan-1-ol?
1-[[3-ethylsulfonylpropyl(methyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 263.40 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-ethylsulfonylpropyl(methyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 113321852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).