N-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide

C12H24N2O3S — CID 55031343

IUPACN-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide
SMILESCN(C1(CN)CCCC1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H24N2O3S/c1-14(12(10-13)6-2-3-7-12)18(15,16)11-4-8-17-9-5-11/h11H,2-10,13H2,1H3
InChIKeyPJMCMGIPIUESLI-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.70
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide

N-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide (PubChem CID 55031343) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide
PubChem CID55031343
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide
SMILESCN(C1(CN)CCCC1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H24N2O3S/c1-14(12(10-13)6-2-3-7-12)18(15,16)11-4-8-17-9-5-11/h11H,2-10,13H2,1H3
InChIKeyPJMCMGIPIUESLI-UHFFFAOYSA-N
XLogP0.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide (CID 55031343) is N-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide is CN(C1(CN)CCCC1)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide?
The InChIKey is PJMCMGIPIUESLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-14(12(10-13)6-2-3-7-12)18(15,16)11-4-8-17-9-5-11/h11H,2-10,13H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide is sourced from PubChem (CID 55031343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).