N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine

C14H29NO2S — CID 106735490

IUPACN-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1CCS(=O)(=O)CCC
InChIInChI=1S/C14H29NO2S/c1-3-9-15-12-14-7-5-6-13(14)8-11-18(16,17)10-4-2/h13-15H,3-12H2,1-2H3
InChIKeyRYQHSCWHSMTQSX-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.62
Rot. Bonds9

About N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine

N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine (PubChem CID 106735490) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine
PubChem CID106735490
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC NameN-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1CCS(=O)(=O)CCC
InChIInChI=1S/C14H29NO2S/c1-3-9-15-12-14-7-5-6-13(14)8-11-18(16,17)10-4-2/h13-15H,3-12H2,1-2H3
InChIKeyRYQHSCWHSMTQSX-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.62
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

N-[(2-decylcyclopentyl)methyl]propan-1-amine
CID 81035001
N-[(2-butylcyclohexyl)methyl]propan-1-amine
CID 81028150
N-[[2-(2-ethylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 106735499
N-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine
CID 81034450
N-[(2-nonylcyclohexyl)methyl]propan-1-amine
CID 81028144
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine
CID 106735488
N-[[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methyl]propan-1-amine
CID 81033878
2-(2-propylsulfonylethyl)cyclobutan-1-amine
CID 106735337
2-(2-butylsulfonylethyl)cyclopentan-1-amine
CID 79581425
N-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine
CID 81032712
N-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine
CID 81034800
3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine
CID 107418219

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine (CID 106735490) is N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine is CCCNCC1CCCC1CCS(=O)(=O)CCC.
What is the InChIKey of N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is RYQHSCWHSMTQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-3-9-15-12-14-7-5-6-13(14)8-11-18(16,17)10-4-2/h13-15H,3-12H2,1-2H3.
What are the key properties of N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine?
N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 106735490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).