1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride

C14H23ClN2O3S — CID 154905317

IUPAC1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride
SMILESCc1ccc(OCCS(=O)(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-12-4-6-14(7-5-12)19-9-10-20(17,18)16-8-2-3-13(15)11-16;/h4-7,13H,2-3,8-11,15H2,1H3;1H
InChIKeyASZRSHPRRYQHNM-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.55
Rot. Bonds5

About 1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride

1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride (PubChem CID 154905317) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is 1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride
PubChem CID154905317
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride
SMILESCc1ccc(OCCS(=O)(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-12-4-6-14(7-5-12)19-9-10-20(17,18)16-8-2-3-13(15)11-16;/h4-7,13H,2-3,8-11,15H2,1H3;1H
InChIKeyASZRSHPRRYQHNM-UHFFFAOYSA-N
XLogP1.55
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-3-amine
CID 122560429
1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 119959783
1-propylsulfonylpiperidin-3-amine;hydrochloride
CID 119959785
1-[(3-methylphenyl)methylsulfonyl]piperidin-3-amine;hydrochloride
CID 119959520
(1S,5S)-6-(cyclopropylmethyl)-3-[2-(4-methylphenoxy)ethylsulfonyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133121376
(3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine
CID 102977594
1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119998731
2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine
CID 122261143
3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine
CID 100644194
4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide
CID 61295573
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
(3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962827

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride?
The IUPAC name of 1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride (CID 154905317) is 1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride is Cc1ccc(OCCS(=O)(=O)N2CCCC(N)C2)cc1.Cl.
What is the InChIKey of 1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride?
The InChIKey is ASZRSHPRRYQHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S.ClH/c1-12-4-6-14(7-5-12)19-9-10-20(17,18)16-8-2-3-13(15)11-16;/h4-7,13H,2-3,8-11,15H2,1H3;1H.
What are the key properties of 1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride?
1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 154905317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).