N-[(1-methylcyclopentyl)methyl]-3-methylsulfonylpropan-1-amine

C11H23NO2S — CID 63820774

IUPACN-[(1-methylcyclopentyl)methyl]-3-methylsulfonylpropan-1-amine
SMILESCC1(CNCCCS(C)(=O)=O)CCCC1
InChIInChI=1S/C11H23NO2S/c1-11(6-3-4-7-11)10-12-8-5-9-15(2,13)14/h12H,3-10H2,1-2H3
InChIKeyFRAVBHSBESJGLR-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.59
Rot. Bonds6

About N-[(1-methylcyclopentyl)methyl]-3-methylsulfonylpropan-1-amine

N-[(1-methylcyclopentyl)methyl]-3-methylsulfonylpropan-1-amine (PubChem CID 63820774) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-3-methylsulfonylpropan-1-amine
PubChem CID63820774
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-[(1-methylcyclopentyl)methyl]-3-methylsulfonylpropan-1-amine
SMILESCC1(CNCCCS(C)(=O)=O)CCCC1
InChIInChI=1S/C11H23NO2S/c1-11(6-3-4-7-11)10-12-8-5-9-15(2,13)14/h12H,3-10H2,1-2H3
InChIKeyFRAVBHSBESJGLR-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-3-methylsulfonylpropan-1-amine (CID 63820774) is N-[(1-methylcyclopentyl)methyl]-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-3-methylsulfonylpropan-1-amine is CC1(CNCCCS(C)(=O)=O)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-3-methylsulfonylpropan-1-amine?
The InChIKey is FRAVBHSBESJGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-11(6-3-4-7-11)10-12-8-5-9-15(2,13)14/h12H,3-10H2,1-2H3.
What are the key properties of N-[(1-methylcyclopentyl)methyl]-3-methylsulfonylpropan-1-amine?
N-[(1-methylcyclopentyl)methyl]-3-methylsulfonylpropan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 63820774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).