N-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine

C13H27NO4S — CID 115900911

IUPACN-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCOCCOCCCCNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C13H27NO4S/c1-17-10-11-18-9-4-3-8-14-12-6-5-7-13(12)19(2,15)16/h12-14H,3-11H2,1-2H3
InChIKeyXLTBRJDOLPVHPP-UHFFFAOYSA-N
MW293.43 g/mol
LogP0.98
Rot. Bonds10

About N-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine

N-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 115900911) has the molecular formula C13H27NO4S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID115900911
Molecular FormulaC13H27NO4S
Molecular Weight293.43 g/mol
Exact Mass293.17
IUPAC NameN-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCOCCOCCCCNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C13H27NO4S/c1-17-10-11-18-9-4-3-8-14-12-6-5-7-13(12)19(2,15)16/h12-14H,3-11H2,1-2H3
InChIKeyXLTBRJDOLPVHPP-UHFFFAOYSA-N
XLogP0.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine
CID 65046821
N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046875
N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine
CID 65044398
N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 115901335
2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 65046605
N-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 103082634
N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045799
N-(cyclopropylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046998
N-(2-cyclopentylethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044497
cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
CID 96923239
trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
CID 96923238
2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine
CID 115901310

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine (CID 115900911) is N-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine is COCCOCCCCNC1CCCC1S(C)(=O)=O.
What is the InChIKey of N-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is XLTBRJDOLPVHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4S/c1-17-10-11-18-9-4-3-8-14-12-6-5-7-13(12)19(2,15)16/h12-14H,3-11H2,1-2H3.
What are the key properties of N-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine?
N-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 0.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 115900911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).