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

C13H25NO3S — CID 84586200

IUPACN-methyl-2-methylsulfonyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine
SMILESCN(CC1CCCCO1)C1CCCC1S(C)(=O)=O
InChIInChI=1S/C13H25NO3S/c1-14(10-11-6-3-4-9-17-11)12-7-5-8-13(12)18(2,15)16/h11-13H,3-10H2,1-2H3
InChIKeySGQPAUNMPHTOCQ-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.45
Rot. Bonds4

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

N-methyl-2-methylsulfonyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine (PubChem CID 84586200) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is N-methyl-2-methylsulfonyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfonyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine
PubChem CID84586200
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC NameN-methyl-2-methylsulfonyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine
SMILESCN(CC1CCCCO1)C1CCCC1S(C)(=O)=O
InChIInChI=1S/C13H25NO3S/c1-14(10-11-6-3-4-9-17-11)12-7-5-8-13(12)18(2,15)16/h11-13H,3-10H2,1-2H3
InChIKeySGQPAUNMPHTOCQ-UHFFFAOYSA-N
XLogP1.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine?
The IUPAC name of N-methyl-2-methylsulfonyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine (CID 84586200) is N-methyl-2-methylsulfonyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for N-methyl-2-methylsulfonyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for N-methyl-2-methylsulfonyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine is CN(CC1CCCCO1)C1CCCC1S(C)(=O)=O.
What is the InChIKey of N-methyl-2-methylsulfonyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine?
The InChIKey is SGQPAUNMPHTOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-14(10-11-6-3-4-9-17-11)12-7-5-8-13(12)18(2,15)16/h11-13H,3-10H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfonyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine?
N-methyl-2-methylsulfonyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine has a molecular weight of 275.41 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 84586200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).