2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine

C14H29NO3S — CID 106730002

IUPAC2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCS(=O)(=O)CCC1(CNCC(C)C)CCOC1
InChIInChI=1S/C14H29NO3S/c1-4-8-19(16,17)9-6-14(5-7-18-12-14)11-15-10-13(2)3/h13,15H,4-12H2,1-3H3
InChIKeyYVFXLAYAWOZSQV-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.85
Rot. Bonds9

About 2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine

2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 106730002) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID106730002
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCS(=O)(=O)CCC1(CNCC(C)C)CCOC1
InChIInChI=1S/C14H29NO3S/c1-4-8-19(16,17)9-6-14(5-7-18-12-14)11-15-10-13(2)3/h13,15H,4-12H2,1-3H3
InChIKeyYVFXLAYAWOZSQV-UHFFFAOYSA-N
XLogP1.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine 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-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718512
N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine
CID 65097129
2-methyl-N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-1-amine
CID 62905571
N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
CID 106730080
[3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol
CID 66060068
N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine
CID 106729992
2-methyl-N-[[4-[[methyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066573
3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane
CID 66033231
N-[[1-(3-ethylsulfonylpropyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 65097230
N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine
CID 63699661
2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine
CID 62719041
N-[[4-(2-ethoxyethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 55136279

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine (CID 106730002) is 2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine is CCCS(=O)(=O)CCC1(CNCC(C)C)CCOC1.
What is the InChIKey of 2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is YVFXLAYAWOZSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-4-8-19(16,17)9-6-14(5-7-18-12-14)11-15-10-13(2)3/h13,15H,4-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 1.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 106730002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).