N-[2-(2-methylpropoxy)ethyl]-1-(oxan-4-yl)methanesulfonamide

C12H25NO4S — CID 172505753

IUPACN-[2-(2-methylpropoxy)ethyl]-1-(oxan-4-yl)methanesulfonamide
SMILESCC(C)COCCNS(=O)(=O)CC1CCOCC1
InChIInChI=1S/C12H25NO4S/c1-11(2)9-17-8-5-13-18(14,15)10-12-3-6-16-7-4-12/h11-13H,3-10H2,1-2H3
InChIKeyDPDRSBIDNHOKEE-UHFFFAOYSA-N
MW279.40 g/mol
LogP1.00
Rot. Bonds8

About N-[2-(2-methylpropoxy)ethyl]-1-(oxan-4-yl)methanesulfonamide

N-[2-(2-methylpropoxy)ethyl]-1-(oxan-4-yl)methanesulfonamide (PubChem CID 172505753) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-1-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-1-(oxan-4-yl)methanesulfonamide
PubChem CID172505753
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-1-(oxan-4-yl)methanesulfonamide
SMILESCC(C)COCCNS(=O)(=O)CC1CCOCC1
InChIInChI=1S/C12H25NO4S/c1-11(2)9-17-8-5-13-18(14,15)10-12-3-6-16-7-4-12/h11-13H,3-10H2,1-2H3
InChIKeyDPDRSBIDNHOKEE-UHFFFAOYSA-N
XLogP1.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 51.00
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-1-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-1-(oxan-4-yl)methanesulfonamide (CID 172505753) is N-[2-(2-methylpropoxy)ethyl]-1-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-1-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-1-(oxan-4-yl)methanesulfonamide is CC(C)COCCNS(=O)(=O)CC1CCOCC1.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-1-(oxan-4-yl)methanesulfonamide?
The InChIKey is DPDRSBIDNHOKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-11(2)9-17-8-5-13-18(14,15)10-12-3-6-16-7-4-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-1-(oxan-4-yl)methanesulfonamide?
N-[2-(2-methylpropoxy)ethyl]-1-(oxan-4-yl)methanesulfonamide has a molecular weight of 279.40 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-1-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 172505753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).