3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol

C10H23NO3S — CID 106734029

IUPAC3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol
SMILESCCCS(=O)(=O)CCC(C)(CN)C(C)O
InChIInChI=1S/C10H23NO3S/c1-4-6-15(13,14)7-5-10(3,8-11)9(2)12/h9,12H,4-8,11H2,1-3H3
InChIKeyYBZSRUGRRAKNSH-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.55
Rot. Bonds7

About 3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol

3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol (PubChem CID 106734029) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol
PubChem CID106734029
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol
SMILESCCCS(=O)(=O)CCC(C)(CN)C(C)O
InChIInChI=1S/C10H23NO3S/c1-4-6-15(13,14)7-5-10(3,8-11)9(2)12/h9,12H,4-8,11H2,1-3H3
InChIKeyYBZSRUGRRAKNSH-UHFFFAOYSA-N
XLogP0.55
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-5-fluoro-3-methylpentan-2-ol
CID 126977387
N-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine
CID 106730349
2,2-dimethyl-5-propylsulfonylpentan-1-amine
CID 65263142
3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol
CID 106724525
2-(aminomethyl)-2-ethyl-4-propylsulfonylbutanoic acid
CID 106737054
3-methyl-3-propylhexan-2-ol
CID 20501676
1-amino-4-propylsulfonylbutan-2-ol
CID 106734192
1-propylsulfonylpropane
CID 11709
2-methyl-1-propylsulfonylpropan-2-amine
CID 81189137
4-(aminomethyl)-4-methyl-1-propylsulfonylhexan-3-one
CID 106736910
2-N-ethyl-2-methyl-2-N-(2-propylsulfonylethyl)propane-1,2-diamine
CID 106722748
N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine
CID 106729808

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol?
The IUPAC name of 3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol (CID 106734029) is 3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol?
The canonical SMILES for 3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol is CCCS(=O)(=O)CCC(C)(CN)C(C)O.
What is the InChIKey of 3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol?
The InChIKey is YBZSRUGRRAKNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-4-6-15(13,14)7-5-10(3,8-11)9(2)12/h9,12H,4-8,11H2,1-3H3.
What are the key properties of 3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol?
3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol has a molecular weight of 237.36 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol is sourced from PubChem (CID 106734029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).