1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride

C16H22ClN3O2S — CID 120779179

IUPAC1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(S(=O)(=O)c2cccc3cnccc23)CCC1N.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-16(2)11-19(9-7-15(16)17)22(20,21)14-5-3-4-12-10-18-8-6-13(12)14;/h3-6,8,10,15H,7,9,11,17H2,1-2H3;1H
InChIKeyHYPPPGUNAKXRSR-UHFFFAOYSA-N
MW355.89 g/mol
LogP2.40
Rot. Bonds2

About 1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride

1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120779179) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is 1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120779179
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC Name1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(S(=O)(=O)c2cccc3cnccc23)CCC1N.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-16(2)11-19(9-7-15(16)17)22(20,21)14-5-3-4-12-10-18-8-6-13(12)14;/h3-6,8,10,15H,7,9,11,17H2,1-2H3;1H
InChIKeyHYPPPGUNAKXRSR-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

Analyze 1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971621
5-[4-(chloromethyl)piperidin-1-yl]sulfonylisoquinoline
CID 63400965
1-isoquinolin-5-ylsulfonyl-N-methoxy-N-methylpiperidin-4-amine
CID 154782948
3-isoquinolin-5-ylsulfonyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 118488054
5-(3-bromopiperidin-1-yl)sulfonylisoquinoline
CID 80676002
1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine
CID 68844705
1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779698
5-(3-propylpiperidin-1-yl)sulfonylisoquinoline
CID 126780577
1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride
CID 119965289
3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride
CID 120779776
9-isoquinolin-5-ylsulfonyl-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 167980397
5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylisoquinoline
CID 23904900

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120779179) is 1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride is CC1(C)CN(S(=O)(=O)c2cccc3cnccc23)CCC1N.Cl.
What is the InChIKey of 1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is HYPPPGUNAKXRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S.ClH/c1-16(2)11-19(9-7-15(16)17)22(20,21)14-5-3-4-12-10-18-8-6-13(12)14;/h3-6,8,10,15H,7,9,11,17H2,1-2H3;1H.
What are the key properties of 1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-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 1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120779179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).