N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide

C11H24N2O3S — CID 111439988

IUPACN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(O)CN1CCC(C)CC1
InChIInChI=1S/C11H24N2O3S/c1-3-17(15,16)12-8-11(14)9-13-6-4-10(2)5-7-13/h10-12,14H,3-9H2,1-2H3
InChIKeyPISIZJNBJGNIBA-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.02
Rot. Bonds6

About N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide (PubChem CID 111439988) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide
PubChem CID111439988
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(O)CN1CCC(C)CC1
InChIInChI=1S/C11H24N2O3S/c1-3-17(15,16)12-8-11(14)9-13-6-4-10(2)5-7-13/h10-12,14H,3-9H2,1-2H3
InChIKeyPISIZJNBJGNIBA-UHFFFAOYSA-N
XLogP0.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
1-(4-methylpiperidin-1-yl)-3-[(2-methylsulfonylcyclohexyl)amino]propan-2-ol
CID 75471733
(2R)-1-(4-methylpiperidin-1-yl)-3-[[(1R,2S)-2-methylsulfonylcyclohexyl]amino]propan-2-ol
CID 97334048
1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904891
1-butyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 56785064
1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 95617929
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111105900
(2R)-1-(4-methylpiperidin-1-yl)-3-(2-methylsulfonylanilino)propan-2-ol
CID 97023768
1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111466677
1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol
CID 115475343
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110020943
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea
CID 111111407

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide (CID 111439988) is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide is CCS(=O)(=O)NCC(O)CN1CCC(C)CC1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide?
The InChIKey is PISIZJNBJGNIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-3-17(15,16)12-8-11(14)9-13-6-4-10(2)5-7-13/h10-12,14H,3-9H2,1-2H3.
What are the key properties of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide?
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide is sourced from PubChem (CID 111439988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).