4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole

C14H20N4O2S — CID 121326797

IUPAC4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
SMILESCC1(C)CN(c2cccc3[nH]ncc23)CCN1S(C)(=O)=O
InChIInChI=1S/C14H20N4O2S/c1-14(2)10-17(7-8-18(14)21(3,19)20)13-6-4-5-12-11(13)9-15-16-12/h4-6,9H,7-8,10H2,1-3H3,(H,15,16)
InChIKeyNTTNGVUPQCGEOP-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.42
Rot. Bonds2

About 4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole

4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole (PubChem CID 121326797) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole.

Molecular Properties

Compound Name4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
PubChem CID121326797
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
SMILESCC1(C)CN(c2cccc3[nH]ncc23)CCN1S(C)(=O)=O
InChIInChI=1S/C14H20N4O2S/c1-14(2)10-17(7-8-18(14)21(3,19)20)13-6-4-5-12-11(13)9-15-16-12/h4-6,9H,7-8,10H2,1-3H3,(H,15,16)
InChIKeyNTTNGVUPQCGEOP-UHFFFAOYSA-N
XLogP1.42
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
CID 159295379
4-piperazin-1-yl-1H-indazole;hydrochloride
CID 131699602
6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-bromo-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[7-(6-chloro-1H-indazol-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone;6-chloro-4-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole
CID 159119891
4-(diazepan-1-yl)-1H-indazole
CID 69190579
4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 121326636
1H-indazol-4-ylboronic acid;hydrochloride
CID 46738007
(3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 129469253
7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonane-2-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-(difluoromethyl)-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
CID 159423140
N-(1H-indazol-4-yl)piperazine-1-sulfonamide
CID 61254561
N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide
CID 146647459
CID 174665708
CID 174665708
6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indazole;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 162160622

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?
The IUPAC name of 4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole (CID 121326797) is 4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole.
What is the SMILES notation for 4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?
The canonical SMILES for 4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole is CC1(C)CN(c2cccc3[nH]ncc23)CCN1S(C)(=O)=O.
What is the InChIKey of 4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?
The InChIKey is NTTNGVUPQCGEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-14(2)10-17(7-8-18(14)21(3,19)20)13-6-4-5-12-11(13)9-15-16-12/h4-6,9H,7-8,10H2,1-3H3,(H,15,16).
What are the key properties of 4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?
4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole has a molecular weight of 308.41 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole is sourced from PubChem (CID 121326797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).