1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride

C16H27ClN2O3S — CID 119959783

IUPAC1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
SMILESCC(C)CCOc1ccc(S(=O)(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-13(2)9-11-21-15-5-7-16(8-6-15)22(19,20)18-10-3-4-14(17)12-18;/h5-8,13-14H,3-4,9-12,17H2,1-2H3;1H
InChIKeyPAHZJHYSMHFOCH-UHFFFAOYSA-N
MW362.92 g/mol
LogP2.65
Rot. Bonds6

About 1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride

1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride (PubChem CID 119959783) has the molecular formula C16H27ClN2O3S and a molecular weight of 362.92 g/mol. Its IUPAC name is 1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
PubChem CID119959783
Molecular FormulaC16H27ClN2O3S
Molecular Weight362.92 g/mol
Exact Mass362.14
IUPAC Name1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
SMILESCC(C)CCOc1ccc(S(=O)(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-13(2)9-11-21-15-5-7-16(8-6-15)22(19,20)18-10-3-4-14(17)12-18;/h5-8,13-14H,3-4,9-12,17H2,1-2H3;1H
InChIKeyPAHZJHYSMHFOCH-UHFFFAOYSA-N
XLogP2.65
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.92
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine
CID 120779320
(3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962827
1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 43605511
1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959888
1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984624
N-methyl-1-[1-[4-(3-methylbutoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991195
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine
CID 120714670
1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride
CID 154905317
(3S)-1-[4-(2-bromoethoxy)phenyl]sulfonyl-3-ethoxypiperidine
CID 97339764
1-(4-propoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959067
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971933
4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide
CID 43605483

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride (CID 119959783) is 1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride is CC(C)CCOc1ccc(S(=O)(=O)N2CCCC(N)C2)cc1.Cl.
What is the InChIKey of 1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is PAHZJHYSMHFOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S.ClH/c1-13(2)9-11-21-15-5-7-16(8-6-15)22(19,20)18-10-3-4-14(17)12-18;/h5-8,13-14H,3-4,9-12,17H2,1-2H3;1H.
What are the key properties of 1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride?
1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 362.92 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 119959783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).