1-propylsulfonylpiperidin-3-amine;hydrochloride

C8H19ClN2O2S — CID 119959785

IUPAC1-propylsulfonylpiperidin-3-amine;hydrochloride
SMILESCCCS(=O)(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C8H18N2O2S.ClH/c1-2-6-13(11,12)10-5-3-4-8(9)7-10;/h8H,2-7,9H2,1H3;1H
InChIKeyJPDAEOLLNBHYQL-UHFFFAOYSA-N
MW242.77 g/mol
LogP0.57
Rot. Bonds3

About 1-propylsulfonylpiperidin-3-amine;hydrochloride

1-propylsulfonylpiperidin-3-amine;hydrochloride (PubChem CID 119959785) has the molecular formula C8H19ClN2O2S and a molecular weight of 242.77 g/mol. Its IUPAC name is 1-propylsulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-propylsulfonylpiperidin-3-amine;hydrochloride
PubChem CID119959785
Molecular FormulaC8H19ClN2O2S
Molecular Weight242.77 g/mol
Exact Mass242.09
IUPAC Name1-propylsulfonylpiperidin-3-amine;hydrochloride
SMILESCCCS(=O)(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C8H18N2O2S.ClH/c1-2-6-13(11,12)10-5-3-4-8(9)7-10;/h8H,2-7,9H2,1H3;1H
InChIKeyJPDAEOLLNBHYQL-UHFFFAOYSA-N
XLogP0.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine
CID 102977594
1-butylsulfonylpyrrolidin-3-amine;hydrochloride
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1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119998731
(3R)-1-(cyclopropylmethylsulfonyl)piperidin-3-amine
CID 102977569
3-amino-N-propylpiperidine-1-sulfonamide
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1-[(3S)-1-propylsulfonylpiperidin-3-yl]azepane
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(3R)-3-aminopiperidine-1-sulfonamide
CID 102984338
3-amino-N,N-diethylpiperidine-1-sulfonamide
CID 43210480
1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride
CID 154905317
3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 119959504
N-(1-propylsulfonylpiperidin-3-yl)acetamide
CID 61384209
1,4-bis(propylsulfonyl)-1,4-diazepane
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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-propylsulfonylpiperidin-3-amine;hydrochloride (CID 119959785) is 1-propylsulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-propylsulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-propylsulfonylpiperidin-3-amine;hydrochloride is CCCS(=O)(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of 1-propylsulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is JPDAEOLLNBHYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S.ClH/c1-2-6-13(11,12)10-5-3-4-8(9)7-10;/h8H,2-7,9H2,1H3;1H.
What are the key properties of 1-propylsulfonylpiperidin-3-amine;hydrochloride?
1-propylsulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 242.77 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 119959785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).