2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol

C10H22N2O4S — CID 79609730

IUPAC2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol
SMILESCS(=O)(=O)N1CCCC(CNC(CO)CO)C1
InChIInChI=1S/C10H22N2O4S/c1-17(15,16)12-4-2-3-9(6-12)5-11-10(7-13)8-14/h9-11,13-14H,2-8H2,1H3
InChIKeyYWPWRCODWJHJBF-UHFFFAOYSA-N
MW266.36 g/mol
LogP-1.40
Rot. Bonds6

About 2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol

2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol (PubChem CID 79609730) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol
PubChem CID79609730
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol
SMILESCS(=O)(=O)N1CCCC(CNC(CO)CO)C1
InChIInChI=1S/C10H22N2O4S/c1-17(15,16)12-4-2-3-9(6-12)5-11-10(7-13)8-14/h9-11,13-14H,2-8H2,1H3
InChIKeyYWPWRCODWJHJBF-UHFFFAOYSA-N
XLogP-1.40
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methylamino]butan-1-ol
CID 79611765
2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propanoic acid
CID 79609766
(2S)-2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propanoic acid
CID 83194002
1-chloro-N-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-2-amine
CID 79622216
1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 79609473
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
3-methyl-4-[(1-methylsulfonylpiperidin-3-yl)methylamino]butan-1-ol
CID 79613327
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
1-methylsulfinyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine
CID 113486455
1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 79612064
3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 106132238
2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol
CID 79623080

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol (CID 79609730) is 2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol is CS(=O)(=O)N1CCCC(CNC(CO)CO)C1.
What is the InChIKey of 2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol?
The InChIKey is YWPWRCODWJHJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-17(15,16)12-4-2-3-9(6-12)5-11-10(7-13)8-14/h9-11,13-14H,2-8H2,1H3.
What are the key properties of 2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol?
2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol has a molecular weight of 266.36 g/mol, XLogP of -1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 79609730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).