4-propan-2-ylsulfonylpiperidine;hydrochloride

C8H18ClNO2S — CID 71757881

IUPAC4-propan-2-ylsulfonylpiperidine;hydrochloride
SMILESCC(C)S(=O)(=O)C1CCNCC1.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-7(2)12(10,11)8-3-5-9-6-4-8;/h7-9H,3-6H2,1-2H3;1H
InChIKeyYANIFXBSLGREOK-UHFFFAOYSA-N
MW227.76 g/mol
LogP0.98
Rot. Bonds2

About 4-propan-2-ylsulfonylpiperidine;hydrochloride

4-propan-2-ylsulfonylpiperidine;hydrochloride (PubChem CID 71757881) has the molecular formula C8H18ClNO2S and a molecular weight of 227.76 g/mol. Its IUPAC name is 4-propan-2-ylsulfonylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-propan-2-ylsulfonylpiperidine;hydrochloride
PubChem CID71757881
Molecular FormulaC8H18ClNO2S
Molecular Weight227.76 g/mol
Exact Mass227.07
IUPAC Name4-propan-2-ylsulfonylpiperidine;hydrochloride
SMILESCC(C)S(=O)(=O)C1CCNCC1.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-7(2)12(10,11)8-3-5-9-6-4-8;/h7-9H,3-6H2,1-2H3;1H
InChIKeyYANIFXBSLGREOK-UHFFFAOYSA-N
XLogP0.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N,N-dimethylpiperidine-4-sulfonamide hydrochloride
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4-(2-Methanesulfonylethyl)piperidine hydrochloride
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4-(Ethanesulfonyl)piperidine hydrochloride
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2-(2-Methanesulfonylethyl)piperidine hydrochloride
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2-Methyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
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N'-(5-methylsulfonylpentyl)propane-1,3-diamine;dihydrochloride
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4-(Methanesulfonyl)piperidine
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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylsulfonylpiperidine;hydrochloride?
The IUPAC name of 4-propan-2-ylsulfonylpiperidine;hydrochloride (CID 71757881) is 4-propan-2-ylsulfonylpiperidine;hydrochloride.
What is the SMILES notation for 4-propan-2-ylsulfonylpiperidine;hydrochloride?
The canonical SMILES for 4-propan-2-ylsulfonylpiperidine;hydrochloride is CC(C)S(=O)(=O)C1CCNCC1.Cl.
What is the InChIKey of 4-propan-2-ylsulfonylpiperidine;hydrochloride?
The InChIKey is YANIFXBSLGREOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S.ClH/c1-7(2)12(10,11)8-3-5-9-6-4-8;/h7-9H,3-6H2,1-2H3;1H.
What are the key properties of 4-propan-2-ylsulfonylpiperidine;hydrochloride?
4-propan-2-ylsulfonylpiperidine;hydrochloride has a molecular weight of 227.76 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfonylpiperidine;hydrochloride is sourced from PubChem (CID 71757881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).