3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride

C10H20ClNO3S — CID 165355086

IUPAC3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCN1CCC(CCO)CC1
InChIInChI=1S/C10H20ClNO3S/c11-16(14,15)9-1-5-12-6-2-10(3-7-12)4-8-13/h10,13H,1-9H2
InChIKeySIQNDOCWBNQYNI-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.04
Rot. Bonds6

About 3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride

3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride (PubChem CID 165355086) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride
PubChem CID165355086
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCN1CCC(CCO)CC1
InChIInChI=1S/C10H20ClNO3S/c11-16(14,15)9-1-5-12-6-2-10(3-7-12)4-8-13/h10,13H,1-9H2
InChIKeySIQNDOCWBNQYNI-UHFFFAOYSA-N
XLogP1.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonyl chloride
CID 112594737
2-[1-[3-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propylsulfanyl]propyl]piperidin-4-yl]ethanol
CID 167423309
3-(azocan-1-yl)propane-1-sulfonyl chloride
CID 112594604
2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanol
CID 57255409
3-[4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione;hydrochloride
CID 131719164
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride
CID 102548987
4-butyl-1-undecylpiperidine;methanesulfonic acid
CID 175583862
3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol
CID 67282001
methanesulfonic acid;4-propyl-1-undecylpiperidine
CID 175583605
4-butyl-1-hexylpiperidine;methanesulfonic acid
CID 175583852
3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride
CID 112594595

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride (CID 165355086) is 3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride is O=S(=O)(Cl)CCCN1CCC(CCO)CC1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride?
The InChIKey is SIQNDOCWBNQYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c11-16(14,15)9-1-5-12-6-2-10(3-7-12)4-8-13/h10,13H,1-9H2.
What are the key properties of 3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride?
3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride has a molecular weight of 269.79 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperidin-1-yl]propane-1-sulfonyl chloride is sourced from PubChem (CID 165355086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).