4-pyrrolidin-1-ylsulfonylpiperidine;hydrochloride

C9H19ClN2O2S — CID 102555146

IUPAC4-pyrrolidin-1-ylsulfonylpiperidine;hydrochloride
SMILESCl.O=S(=O)(C1CCNCC1)N1CCCC1
InChIInChI=1S/C9H18N2O2S.ClH/c12-14(13,11-7-1-2-8-11)9-3-5-10-6-4-9;/h9-10H,1-8H2;1H
InChIKeyKWXQQMNKTDNNNQ-UHFFFAOYSA-N
MW254.78 g/mol
LogP0.59
Rot. Bonds2

About 4-pyrrolidin-1-ylsulfonylpiperidine;hydrochloride

4-pyrrolidin-1-ylsulfonylpiperidine;hydrochloride (PubChem CID 102555146) has the molecular formula C9H19ClN2O2S and a molecular weight of 254.78 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfonylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfonylpiperidine;hydrochloride
PubChem CID102555146
Molecular FormulaC9H19ClN2O2S
Molecular Weight254.78 g/mol
Exact Mass254.09
IUPAC Name4-pyrrolidin-1-ylsulfonylpiperidine;hydrochloride
SMILESCl.O=S(=O)(C1CCNCC1)N1CCCC1
InChIInChI=1S/C9H18N2O2S.ClH/c12-14(13,11-7-1-2-8-11)9-3-5-10-6-4-9;/h9-10H,1-8H2;1H
InChIKeyKWXQQMNKTDNNNQ-UHFFFAOYSA-N
XLogP0.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.78
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidine-3-sulfonamide
CID 24703810
2-(Piperidine-1-sulfonyl)ethan-1-amine
CID 208100
N-Methyl-4-piperidinesulfonamide
CID 52326748
2-(Piperidin-4-yl)-1lambda6,2-thiazolidine-1,1-dione
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(S)-Piperidine-3-sulfonamide
CID 28202542
2-(2-(Piperidin-4-yl)ethyl)-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 20434917
N-methylpiperidine-3-sulfonamide
CID 24711203
rel-(3R)-piperidine-3-sulfonamide
CID 28202540
Piperidine-3-sulfonamide hydrochloride
CID 42946476
Piperidine-4-sulfonamide hydrochloride
CID 50988742
N,N-dimethylpiperidine-4-sulfonamide hydrochloride
CID 56773450
N-methylpiperidine-4-sulfonamide hydrochloride
CID 119056905

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylsulfonylpiperidine;hydrochloride?
The IUPAC name of 4-pyrrolidin-1-ylsulfonylpiperidine;hydrochloride (CID 102555146) is 4-pyrrolidin-1-ylsulfonylpiperidine;hydrochloride.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfonylpiperidine;hydrochloride?
The canonical SMILES for 4-pyrrolidin-1-ylsulfonylpiperidine;hydrochloride is Cl.O=S(=O)(C1CCNCC1)N1CCCC1.
What is the InChIKey of 4-pyrrolidin-1-ylsulfonylpiperidine;hydrochloride?
The InChIKey is KWXQQMNKTDNNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S.ClH/c12-14(13,11-7-1-2-8-11)9-3-5-10-6-4-9;/h9-10H,1-8H2;1H.
What are the key properties of 4-pyrrolidin-1-ylsulfonylpiperidine;hydrochloride?
4-pyrrolidin-1-ylsulfonylpiperidine;hydrochloride has a molecular weight of 254.78 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfonylpiperidine;hydrochloride is sourced from PubChem (CID 102555146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).