2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine

C12H23NO3S — CID 65045602

IUPAC2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCC1CCOCC1
InChIInChI=1S/C12H23NO3S/c1-17(14,15)12-4-2-3-11(12)13-9-10-5-7-16-8-6-10/h10-13H,2-9H2,1H3
InChIKeyKEPRMQOOYVGCDP-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.97
Rot. Bonds4

About 2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine

2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine (PubChem CID 65045602) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
PubChem CID65045602
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCC1CCOCC1
InChIInChI=1S/C12H23NO3S/c1-17(14,15)12-4-2-3-11(12)13-9-10-5-7-16-8-6-10/h10-13H,2-9H2,1H3
InChIKeyKEPRMQOOYVGCDP-UHFFFAOYSA-N
XLogP0.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine (CID 65045602) is 2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine is CS(=O)(=O)C1CCCC1NCC1CCOCC1.
What is the InChIKey of 2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine?
The InChIKey is KEPRMQOOYVGCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-17(14,15)12-4-2-3-11(12)13-9-10-5-7-16-8-6-10/h10-13H,2-9H2,1H3.
What are the key properties of 2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine?
2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 65045602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).