1-(chloromethylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol

C7H14ClNO4S — CID 130640047

IUPAC1-(chloromethylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol
SMILESO=S(=O)(CCl)N1CCCC(O)(CO)C1
InChIInChI=1S/C7H14ClNO4S/c8-6-14(12,13)9-3-1-2-7(11,4-9)5-10/h10-11H,1-6H2
InChIKeyKGZLPLNXWOPNNH-UHFFFAOYSA-N
MW243.71 g/mol
LogP-0.67
Rot. Bonds3

About 1-(chloromethylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol

1-(chloromethylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol (PubChem CID 130640047) has the molecular formula C7H14ClNO4S and a molecular weight of 243.71 g/mol. Its IUPAC name is 1-(chloromethylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(chloromethylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol
PubChem CID130640047
Molecular FormulaC7H14ClNO4S
Molecular Weight243.71 g/mol
Exact Mass243.03
IUPAC Name1-(chloromethylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol
SMILESO=S(=O)(CCl)N1CCCC(O)(CO)C1
InChIInChI=1S/C7H14ClNO4S/c8-6-14(12,13)9-3-1-2-7(11,4-9)5-10/h10-11H,1-6H2
InChIKeyKGZLPLNXWOPNNH-UHFFFAOYSA-N
XLogP-0.67
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[1-(chloromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol
CID 130978989
1-(2,6-dichlorophenyl)sulfonyl-4-(hydroxymethyl)azepan-4-ol
CID 56908943
1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid
CID 130861327
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol
CID 164635553
1-(benzenesulfonyl)-3-prop-2-ynylpiperidin-3-ol
CID 71662628
3-(3-hydroxy-1-propylsulfonylpiperidin-3-yl)-N-methylpropanamide
CID 132776235
1-(chloromethylsulfonyl)-3,3-dimethylazetidine
CID 130649715
3-(hydroxymethyl)-1-propylpiperidin-3-ol
CID 130689857
4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol
CID 130490728
1-ethenylsulfonyl-3-(methoxymethyl)piperidin-3-ol
CID 167943862
1-(chloromethylsulfonyl)-4-methyl-1,4-diazepane
CID 63664100
[1-(chloromethylsulfonyl)piperidin-4-yl]methanol
CID 63664501

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of 1-(chloromethylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol (CID 130640047) is 1-(chloromethylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for 1-(chloromethylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for 1-(chloromethylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol is O=S(=O)(CCl)N1CCCC(O)(CO)C1.
What is the InChIKey of 1-(chloromethylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol?
The InChIKey is KGZLPLNXWOPNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO4S/c8-6-14(12,13)9-3-1-2-7(11,4-9)5-10/h10-11H,1-6H2.
What are the key properties of 1-(chloromethylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol?
1-(chloromethylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol has a molecular weight of 243.71 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 130640047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).