N-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide

C11H24N2O3S — CID 97061252

IUPACN-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide
SMILESCN(CCCNS(C)(=O)=O)C[C@H]1CCCCO1
InChIInChI=1S/C11H24N2O3S/c1-13(8-5-7-12-17(2,14)15)10-11-6-3-4-9-16-11/h11-12H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyVRMJLUHNUFLMCY-LLVKDONJSA-N
MW264.39 g/mol
LogP0.43
Rot. Bonds7

About N-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide

N-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide (PubChem CID 97061252) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide
PubChem CID97061252
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide
SMILESCN(CCCNS(C)(=O)=O)C[C@H]1CCCCO1
InChIInChI=1S/C11H24N2O3S/c1-13(8-5-7-12-17(2,14)15)10-11-6-3-4-9-16-11/h11-12H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyVRMJLUHNUFLMCY-LLVKDONJSA-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'}

Analyze N-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 61436273
N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61436191
6-[methyl(oxan-2-ylmethyl)amino]hexan-1-ol
CID 103737833
3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 60965354
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349
N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 62429589
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
N'-methyl-N'-(oxolan-2-ylmethyl)-N-propylbutane-1,4-diamine
CID 62435535

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide (CID 97061252) is N-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide is CN(CCCNS(C)(=O)=O)C[C@H]1CCCCO1.
What is the InChIKey of N-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide?
The InChIKey is VRMJLUHNUFLMCY-LLVKDONJSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-13(8-5-7-12-17(2,14)15)10-11-6-3-4-9-16-11/h11-12H,3-10H2,1-2H3/t11-/m1/s1.
What are the key properties of N-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide?
N-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]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-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide is sourced from PubChem (CID 97061252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).