N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine

C13H28N2O3S — CID 79858503

IUPACN-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN(C)CCS(C)(=O)=O)O1
InChIInChI=1S/C13H28N2O3S/c1-4-7-14-10-12-5-6-13(18-12)11-15(2)8-9-19(3,16)17/h12-14H,4-11H2,1-3H3
InChIKeyYHCVQWXHXLFSFV-UHFFFAOYSA-N
MW292.44 g/mol
LogP0.51
Rot. Bonds9

About N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine

N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 79858503) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID79858503
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN(C)CCS(C)(=O)=O)O1
InChIInChI=1S/C13H28N2O3S/c1-4-7-14-10-12-5-6-13(18-12)11-15(2)8-9-19(3,16)17/h12-14H,4-11H2,1-3H3
InChIKeyYHCVQWXHXLFSFV-UHFFFAOYSA-N
XLogP0.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-1-amine
CID 55074744
N-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 63234318
N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62431296
N-[[5-[[propan-2-yl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55074978
N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine
CID 62436901
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 63683736
N-(cyclohexylmethyl)-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79858955
2-methyl-N-[[5-[[methyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62417002
N-[[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62413670
N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62437687
N-butan-2-yl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-1-amine
CID 62412291
4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine
CID 79858261

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine (CID 79858503) is N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine is CCCNCC1CCC(CN(C)CCS(C)(=O)=O)O1.
What is the InChIKey of N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is YHCVQWXHXLFSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-4-7-14-10-12-5-6-13(18-12)11-15(2)8-9-19(3,16)17/h12-14H,4-11H2,1-3H3.
What are the key properties of N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 0.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 79858503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).