N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine

C12H25NO4S — CID 65046821

IUPACN-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCOCCOCCCNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C12H25NO4S/c1-16-9-10-17-8-4-7-13-11-5-3-6-12(11)18(2,14)15/h11-13H,3-10H2,1-2H3
InChIKeyDRWNRSQUJXJHJV-UHFFFAOYSA-N
MW279.40 g/mol
LogP0.59
Rot. Bonds9

About N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine

N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 65046821) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID65046821
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCOCCOCCCNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C12H25NO4S/c1-16-9-10-17-8-4-7-13-11-5-3-6-12(11)18(2,14)15/h11-13H,3-10H2,1-2H3
InChIKeyDRWNRSQUJXJHJV-UHFFFAOYSA-N
XLogP0.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 50.59
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-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine
CID 115900911
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
N-[3-(2-methoxyethoxy)propyl]-2,6-dimethylcyclohexan-1-amine
CID 43183035
2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine
CID 115901310
trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
CID 95377511

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine (CID 65046821) is N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine is COCCOCCCNC1CCCC1S(C)(=O)=O.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is DRWNRSQUJXJHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-16-9-10-17-8-4-7-13-11-5-3-6-12(11)18(2,14)15/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine?
N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 0.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 65046821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).