2-methylsulfonyl-1-(propylaminomethyl)cyclopentan-1-ol

C10H21NO3S — CID 65049788

IUPAC2-methylsulfonyl-1-(propylaminomethyl)cyclopentan-1-ol
SMILESCCCNCC1(O)CCCC1S(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-3-7-11-8-10(12)6-4-5-9(10)15(2,13)14/h9,11-12H,3-8H2,1-2H3
InChIKeyQRCFRANDKXACRR-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.31
Rot. Bonds5

About 2-methylsulfonyl-1-(propylaminomethyl)cyclopentan-1-ol

2-methylsulfonyl-1-(propylaminomethyl)cyclopentan-1-ol (PubChem CID 65049788) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(propylaminomethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-methylsulfonyl-1-(propylaminomethyl)cyclopentan-1-ol
PubChem CID65049788
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-methylsulfonyl-1-(propylaminomethyl)cyclopentan-1-ol
SMILESCCCNCC1(O)CCCC1S(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-3-7-11-8-10(12)6-4-5-9(10)15(2,13)14/h9,11-12H,3-8H2,1-2H3
InChIKeyQRCFRANDKXACRR-UHFFFAOYSA-N
XLogP0.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.31
H-Bond Donors ≤ 52
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-methylsulfonyl-1-(propylaminomethyl)cyclopentan-1-ol?
The IUPAC name of 2-methylsulfonyl-1-(propylaminomethyl)cyclopentan-1-ol (CID 65049788) is 2-methylsulfonyl-1-(propylaminomethyl)cyclopentan-1-ol.
What is the SMILES notation for 2-methylsulfonyl-1-(propylaminomethyl)cyclopentan-1-ol?
The canonical SMILES for 2-methylsulfonyl-1-(propylaminomethyl)cyclopentan-1-ol is CCCNCC1(O)CCCC1S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-1-(propylaminomethyl)cyclopentan-1-ol?
The InChIKey is QRCFRANDKXACRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-7-11-8-10(12)6-4-5-9(10)15(2,13)14/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 2-methylsulfonyl-1-(propylaminomethyl)cyclopentan-1-ol?
2-methylsulfonyl-1-(propylaminomethyl)cyclopentan-1-ol has a molecular weight of 235.35 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(propylaminomethyl)cyclopentan-1-ol is sourced from PubChem (CID 65049788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).