N-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine

C11H23NO2S — CID 81395595

IUPACN-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine
SMILESC[C@H](NCCCS(C)(=O)=O)C1CCCC1
InChIInChI=1S/C11H23NO2S/c1-10(11-6-3-4-7-11)12-8-5-9-15(2,13)14/h10-12H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyATGPSDLQNQZMDE-JTQLQIEISA-N
MW233.38 g/mol
LogP1.59
Rot. Bonds6

About N-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine

N-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine (PubChem CID 81395595) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine
PubChem CID81395595
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine
SMILESC[C@H](NCCCS(C)(=O)=O)C1CCCC1
InChIInChI=1S/C11H23NO2S/c1-10(11-6-3-4-7-11)12-8-5-9-15(2,13)14/h10-12H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyATGPSDLQNQZMDE-JTQLQIEISA-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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Related Compounds

(1S)-1-cyclohexyl-N-(2-methylsulfonylethyl)ethanamine
CID 81385111
(1R)-1-cyclohexyl-N-(2-methylsulfonylethyl)ethanamine
CID 81384341
(1R)-1-cyclopentyl-N-(2-ethylsulfonylethyl)ethanamine
CID 81394699
1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine
CID 115716722
N-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide
CID 62632830
N-(1-cyclopentylethyl)-3-fluoropropan-1-amine
CID 81106948
methyl 4-(1-cyclopentylethylamino)butanoate
CID 62632824
N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020638
N-[(1S)-1-cyclohexylethyl]-3-fluoropropan-1-amine
CID 81384953
N-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine
CID 103914759
N-[(1S)-1-cyclohexylethyl]heptan-1-amine
CID 81387571

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine (CID 81395595) is N-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine is C[C@H](NCCCS(C)(=O)=O)C1CCCC1.
What is the InChIKey of N-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine?
The InChIKey is ATGPSDLQNQZMDE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(11-6-3-4-7-11)12-8-5-9-15(2,13)14/h10-12H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine?
N-[(1S)-1-cyclopentylethyl]-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-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 81395595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).