1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclopentan-1-ol

C10H21NO3S — CID 65107158

IUPAC1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(CS(C)(=O)=O)NCC1(O)CCCC1
InChIInChI=1S/C10H21NO3S/c1-9(7-15(2,13)14)11-8-10(12)5-3-4-6-10/h9,11-12H,3-8H2,1-2H3
InChIKeyHSFOQGHMGIZFBG-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.31
Rot. Bonds5

About 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclopentan-1-ol

1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclopentan-1-ol (PubChem CID 65107158) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclopentan-1-ol
PubChem CID65107158
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(CS(C)(=O)=O)NCC1(O)CCCC1
InChIInChI=1S/C10H21NO3S/c1-9(7-15(2,13)14)11-8-10(12)5-3-4-6-10/h9,11-12H,3-8H2,1-2H3
InChIKeyHSFOQGHMGIZFBG-UHFFFAOYSA-N
XLogP0.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclopentan-1-ol (CID 65107158) is 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclopentan-1-ol is CC(CS(C)(=O)=O)NCC1(O)CCCC1.
What is the InChIKey of 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is HSFOQGHMGIZFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(7-15(2,13)14)11-8-10(12)5-3-4-6-10/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclopentan-1-ol?
1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 235.35 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65107158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).