1-ethylsulfonyl-4-[(propan-2-ylamino)methyl]piperidin-4-ol

C11H24N2O3S — CID 39364290

IUPAC1-ethylsulfonyl-4-[(propan-2-ylamino)methyl]piperidin-4-ol
SMILESCCS(=O)(=O)N1CCC(O)(CNC(C)C)CC1
InChIInChI=1S/C11H24N2O3S/c1-4-17(15,16)13-7-5-11(14,6-8-13)9-12-10(2)3/h10,12,14H,4-9H2,1-3H3
InChIKeyXYFOUDZIRMKSAP-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.16
Rot. Bonds5

About 1-ethylsulfonyl-4-[(propan-2-ylamino)methyl]piperidin-4-ol

1-ethylsulfonyl-4-[(propan-2-ylamino)methyl]piperidin-4-ol (PubChem CID 39364290) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-[(propan-2-ylamino)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-ethylsulfonyl-4-[(propan-2-ylamino)methyl]piperidin-4-ol
PubChem CID39364290
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name1-ethylsulfonyl-4-[(propan-2-ylamino)methyl]piperidin-4-ol
SMILESCCS(=O)(=O)N1CCC(O)(CNC(C)C)CC1
InChIInChI=1S/C11H24N2O3S/c1-4-17(15,16)13-7-5-11(14,6-8-13)9-12-10(2)3/h10,12,14H,4-9H2,1-3H3
InChIKeyXYFOUDZIRMKSAP-UHFFFAOYSA-N
XLogP0.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-hydroxy-4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 39243445
1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol
CID 64643391
4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 39354945
4-[(propan-2-ylamino)methyl]oxepan-4-ol
CID 65080987
(2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 138016410
1-ethylsulfonyl-4-methylpiperidin-4-amine
CID 71167424
4-propan-2-yl-1-[(propan-2-ylamino)methyl]cycloheptan-1-ol
CID 65090686
2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
CID 65108936
1-ethylsulfonyl-4-methylpiperidine-4-carbonitrile
CID 103990296
1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol
CID 115692707
1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 168923326
1-[(1-sulfanylethylamino)methyl]cyclopropan-1-ol
CID 139457540

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-[(propan-2-ylamino)methyl]piperidin-4-ol?
The IUPAC name of 1-ethylsulfonyl-4-[(propan-2-ylamino)methyl]piperidin-4-ol (CID 39364290) is 1-ethylsulfonyl-4-[(propan-2-ylamino)methyl]piperidin-4-ol.
What is the SMILES notation for 1-ethylsulfonyl-4-[(propan-2-ylamino)methyl]piperidin-4-ol?
The canonical SMILES for 1-ethylsulfonyl-4-[(propan-2-ylamino)methyl]piperidin-4-ol is CCS(=O)(=O)N1CCC(O)(CNC(C)C)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-[(propan-2-ylamino)methyl]piperidin-4-ol?
The InChIKey is XYFOUDZIRMKSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-4-17(15,16)13-7-5-11(14,6-8-13)9-12-10(2)3/h10,12,14H,4-9H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-4-[(propan-2-ylamino)methyl]piperidin-4-ol?
1-ethylsulfonyl-4-[(propan-2-ylamino)methyl]piperidin-4-ol has a molecular weight of 264.39 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-[(propan-2-ylamino)methyl]piperidin-4-ol is sourced from PubChem (CID 39364290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).