3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride

C16H22ClN3O2S — CID 120779776

IUPAC3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(S(=O)(=O)c2ccc3ncccc3c2)CCC1N.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-16(2)11-19(9-7-15(16)17)22(20,21)13-5-6-14-12(10-13)4-3-8-18-14;/h3-6,8,10,15H,7,9,11,17H2,1-2H3;1H
InChIKeySJEDVDTTXFEFCS-UHFFFAOYSA-N
MW355.89 g/mol
LogP2.40
Rot. Bonds2

About 3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride

3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride (PubChem CID 120779776) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is 3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride
PubChem CID120779776
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC Name3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(S(=O)(=O)c2ccc3ncccc3c2)CCC1N.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-16(2)11-19(9-7-15(16)17)22(20,21)13-5-6-14-12(10-13)4-3-8-18-14;/h3-6,8,10,15H,7,9,11,17H2,1-2H3;1H
InChIKeySJEDVDTTXFEFCS-UHFFFAOYSA-N
XLogP2.40
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine
CID 120778982
6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline
CID 167907378
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779558
1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120778940
3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
CID 120781427
3,3-dimethyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120779851
3,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidin-4-amine;hydrochloride
CID 120779790
3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 120779609
1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779179
methyl 4-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzoate;hydrochloride
CID 120779215
7-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-isoquinolin-1-one
CID 120779618
(3aS,6aR)-2-quinolin-6-ylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679416

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride (CID 120779776) is 3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride is CC1(C)CN(S(=O)(=O)c2ccc3ncccc3c2)CCC1N.Cl.
What is the InChIKey of 3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is SJEDVDTTXFEFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S.ClH/c1-16(2)11-19(9-7-15(16)17)22(20,21)13-5-6-14-12(10-13)4-3-8-18-14;/h3-6,8,10,15H,7,9,11,17H2,1-2H3;1H.
What are the key properties of 3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride?
3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 355.89 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120779776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).