N-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide

C12H25NO3S — CID 97306297

IUPACN-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N(C)C[C@H]1CCCCO1
InChIInChI=1S/C12H25NO3S/c1-3-4-7-10-17(14,15)13(2)11-12-8-5-6-9-16-12/h12H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyYWFFERZHNFPNCM-GFCCVEGCSA-N
MW263.40 g/mol
LogP2.01
Rot. Bonds7

About N-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide

N-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide (PubChem CID 97306297) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide
PubChem CID97306297
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N(C)C[C@H]1CCCCO1
InChIInChI=1S/C12H25NO3S/c1-3-4-7-10-17(14,15)13(2)11-12-8-5-6-9-16-12/h12H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyYWFFERZHNFPNCM-GFCCVEGCSA-N
XLogP2.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide
CID 110733190
N'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine
CID 54951890
4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide
CID 54951943
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
3-amino-N-ethyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
CID 61435361
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
3-butyl-1-methyl-1-(oxan-2-ylmethyl)urea
CID 115589808
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
N-(cyclopentylmethyl)-N-methylpropane-1-sulfonamide
CID 62068860
4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 61435824
4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 60750571
4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide
CID 63630732

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide?
The IUPAC name of N-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide (CID 97306297) is N-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide?
The canonical SMILES for N-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide is CCCCCS(=O)(=O)N(C)C[C@H]1CCCCO1.
What is the InChIKey of N-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide?
The InChIKey is YWFFERZHNFPNCM-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-3-4-7-10-17(14,15)13(2)11-12-8-5-6-9-16-12/h12H,3-11H2,1-2H3/t12-/m1/s1.
What are the key properties of N-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide?
N-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide is sourced from PubChem (CID 97306297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).