N-ethyl-N-[3-(oxan-4-ylamino)propyl]methanesulfonamide

C11H24N2O3S — CID 54903584

IUPACN-ethyl-N-[3-(oxan-4-ylamino)propyl]methanesulfonamide
SMILESCCN(CCCNC1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-3-13(17(2,14)15)8-4-7-12-11-5-9-16-10-6-11/h11-12H,3-10H2,1-2H3
InChIKeyYPBCIYVFUWTEGI-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.43
Rot. Bonds7

About N-ethyl-N-[3-(oxan-4-ylamino)propyl]methanesulfonamide

N-ethyl-N-[3-(oxan-4-ylamino)propyl]methanesulfonamide (PubChem CID 54903584) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-ethyl-N-[3-(oxan-4-ylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(oxan-4-ylamino)propyl]methanesulfonamide
PubChem CID54903584
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-ethyl-N-[3-(oxan-4-ylamino)propyl]methanesulfonamide
SMILESCCN(CCCNC1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-3-13(17(2,14)15)8-4-7-12-11-5-9-16-10-6-11/h11-12H,3-10H2,1-2H3
InChIKeyYPBCIYVFUWTEGI-UHFFFAOYSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.43
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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Related Compounds

N-(Oxan-4-YL)-N-(piperidin-4-YL)methanesulfonamide
CID 86820423
N-(Azetidin-3-YL)-N-(oxan-4-YL)methanesulfonamide
CID 86820505
N-[2-[oxan-4-yl(propan-2-yl)amino]ethyl]ethanesulfonamide
CID 72003186
N-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide
CID 21034325
1-ethylsulfonyl-N-(oxan-4-yl)piperidin-4-amine
CID 43608586
N-[2-(oxan-4-ylamino)ethyl]methanesulfonamide
CID 43608588
2-(Oxan-4-ylamino)ethanesulfonamide
CID 43608649
2-amino-N-methyl-N-(oxan-4-yl)ethanesulfonamide
CID 43610995
1-methylsulfonyl-N-(oxan-4-yl)piperidin-4-amine
CID 43628734
N-(oxan-4-yl)-1-propylsulfonylpiperidin-4-amine
CID 43747936
N'-methyl-N'-[methyl(oxan-4-yl)sulfamoyl]propane-1,3-diamine
CID 54951940
N-(2-butoxyethyl)-1-methylsulfonylpiperidin-4-amine
CID 54956079

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-(oxan-4-ylamino)propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-(oxan-4-ylamino)propyl]methanesulfonamide (CID 54903584) is N-ethyl-N-[3-(oxan-4-ylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-(oxan-4-ylamino)propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-(oxan-4-ylamino)propyl]methanesulfonamide is CCN(CCCNC1CCOCC1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-(oxan-4-ylamino)propyl]methanesulfonamide?
The InChIKey is YPBCIYVFUWTEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-3-13(17(2,14)15)8-4-7-12-11-5-9-16-10-6-11/h11-12H,3-10H2,1-2H3.
What are the key properties of N-ethyl-N-[3-(oxan-4-ylamino)propyl]methanesulfonamide?
N-ethyl-N-[3-(oxan-4-ylamino)propyl]methanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(oxan-4-ylamino)propyl]methanesulfonamide is sourced from PubChem (CID 54903584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).