2-(3-methoxypropylsulfonyl)-N-methylcyclopentan-1-amine

C10H21NO3S — CID 64674665

IUPAC2-(3-methoxypropylsulfonyl)-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1S(=O)(=O)CCCOC
InChIInChI=1S/C10H21NO3S/c1-11-9-5-3-6-10(9)15(12,13)8-4-7-14-2/h9-11H,3-8H2,1-2H3
InChIKeyCWYPEGDXKUQGBA-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.58
Rot. Bonds6

About 2-(3-methoxypropylsulfonyl)-N-methylcyclopentan-1-amine

2-(3-methoxypropylsulfonyl)-N-methylcyclopentan-1-amine (PubChem CID 64674665) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(3-methoxypropylsulfonyl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(3-methoxypropylsulfonyl)-N-methylcyclopentan-1-amine
PubChem CID64674665
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-(3-methoxypropylsulfonyl)-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1S(=O)(=O)CCCOC
InChIInChI=1S/C10H21NO3S/c1-11-9-5-3-6-10(9)15(12,13)8-4-7-14-2/h9-11H,3-8H2,1-2H3
InChIKeyCWYPEGDXKUQGBA-UHFFFAOYSA-N
XLogP0.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(3-methoxypropylsulfonyl)-N-methylcyclopentan-1-amine?
The IUPAC name of 2-(3-methoxypropylsulfonyl)-N-methylcyclopentan-1-amine (CID 64674665) is 2-(3-methoxypropylsulfonyl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(3-methoxypropylsulfonyl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-(3-methoxypropylsulfonyl)-N-methylcyclopentan-1-amine is CNC1CCCC1S(=O)(=O)CCCOC.
What is the InChIKey of 2-(3-methoxypropylsulfonyl)-N-methylcyclopentan-1-amine?
The InChIKey is CWYPEGDXKUQGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-11-9-5-3-6-10(9)15(12,13)8-4-7-14-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-(3-methoxypropylsulfonyl)-N-methylcyclopentan-1-amine?
2-(3-methoxypropylsulfonyl)-N-methylcyclopentan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylsulfonyl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 64674665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).