2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol

C10H22N2O3S — CID 79623080

IUPAC2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol
SMILESCS(=O)(=O)N1CCCC(CC(CN)CO)C1
InChIInChI=1S/C10H22N2O3S/c1-16(14,15)12-4-2-3-9(7-12)5-10(6-11)8-13/h9-10,13H,2-8,11H2,1H3
InChIKeyIJRDCAZGYNRYRH-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.38
Rot. Bonds5

About 2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol

2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol (PubChem CID 79623080) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol
PubChem CID79623080
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol
SMILESCS(=O)(=O)N1CCCC(CC(CN)CO)C1
InChIInChI=1S/C10H22N2O3S/c1-16(14,15)12-4-2-3-9(7-12)5-10(6-11)8-13/h9-10,13H,2-8,11H2,1H3
InChIKeyIJRDCAZGYNRYRH-UHFFFAOYSA-N
XLogP-0.38
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 79619745
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol
CID 79609730
4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol
CID 79622724
ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79609481
ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79611825
[1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322801
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 116752854
1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011006
1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105166960
5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 79953434

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol (CID 79623080) is 2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol is CS(=O)(=O)N1CCCC(CC(CN)CO)C1.
What is the InChIKey of 2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol?
The InChIKey is IJRDCAZGYNRYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-16(14,15)12-4-2-3-9(7-12)5-10(6-11)8-13/h9-10,13H,2-8,11H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol?
2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol has a molecular weight of 250.36 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol is sourced from PubChem (CID 79623080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).