1-isoquinolin-6-ylsulfonyl-4,4-dimethylpyrrolidin-3-amine

C15H19N3O2S — CID 155960073

IUPAC1-isoquinolin-6-ylsulfonyl-4,4-dimethylpyrrolidin-3-amine
SMILESCC1(C)CN(S(=O)(=O)c2ccc3cnccc3c2)CC1N
InChIInChI=1S/C15H19N3O2S/c1-15(2)10-18(9-14(15)16)21(19,20)13-4-3-12-8-17-6-5-11(12)7-13/h3-8,14H,9-10,16H2,1-2H3
InChIKeyWDXPUJKCQADPKQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.59
Rot. Bonds2

About 1-isoquinolin-6-ylsulfonyl-4,4-dimethylpyrrolidin-3-amine

1-isoquinolin-6-ylsulfonyl-4,4-dimethylpyrrolidin-3-amine (PubChem CID 155960073) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-isoquinolin-6-ylsulfonyl-4,4-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-isoquinolin-6-ylsulfonyl-4,4-dimethylpyrrolidin-3-amine
PubChem CID155960073
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-isoquinolin-6-ylsulfonyl-4,4-dimethylpyrrolidin-3-amine
SMILESCC1(C)CN(S(=O)(=O)c2ccc3cnccc3c2)CC1N
InChIInChI=1S/C15H19N3O2S/c1-15(2)10-18(9-14(15)16)21(19,20)13-4-3-12-8-17-6-5-11(12)7-13/h3-8,14H,9-10,16H2,1-2H3
InChIKeyWDXPUJKCQADPKQ-UHFFFAOYSA-N
XLogP1.59
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-isoquinolin-6-ylsulfonylpyrrolidin-3-amine;dihydrochloride
CID 66727171
6-(3,6-diazabicyclo[3.1.1]heptan-3-ylsulfonyl)isoquinoline
CID 166304073
3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride
CID 120779776
6-(aminosulfonimidoyl)isoquinoline
CID 146570705
1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779179
6-[(2-methyl-1,4,7-triazonan-1-yl)sulfonyl]isoquinoline
CID 66727163
6-[(2-methyl-1,5-diazocan-1-yl)sulfonyl]isoquinoline
CID 66726669
6-[[(2S)-2-methyl-1,4-diazocan-1-yl]sulfonyl]isoquinoline;dihydrochloride
CID 66727195
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779558
6-[(2-ethyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline
CID 66727121
1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine
CID 120778982
3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 141154020

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-6-ylsulfonyl-4,4-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-isoquinolin-6-ylsulfonyl-4,4-dimethylpyrrolidin-3-amine (CID 155960073) is 1-isoquinolin-6-ylsulfonyl-4,4-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-isoquinolin-6-ylsulfonyl-4,4-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-isoquinolin-6-ylsulfonyl-4,4-dimethylpyrrolidin-3-amine is CC1(C)CN(S(=O)(=O)c2ccc3cnccc3c2)CC1N.
What is the InChIKey of 1-isoquinolin-6-ylsulfonyl-4,4-dimethylpyrrolidin-3-amine?
The InChIKey is WDXPUJKCQADPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-15(2)10-18(9-14(15)16)21(19,20)13-4-3-12-8-17-6-5-11(12)7-13/h3-8,14H,9-10,16H2,1-2H3.
What are the key properties of 1-isoquinolin-6-ylsulfonyl-4,4-dimethylpyrrolidin-3-amine?
1-isoquinolin-6-ylsulfonyl-4,4-dimethylpyrrolidin-3-amine has a molecular weight of 305.40 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-6-ylsulfonyl-4,4-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 155960073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).