N-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine

C14H21N3O2S — CID 105001238

IUPACN-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine
SMILESCNC(Cc1nn(C)c2ccccc12)C(C)S(C)(=O)=O
InChIInChI=1S/C14H21N3O2S/c1-10(20(4,18)19)12(15-2)9-13-11-7-5-6-8-14(11)17(3)16-13/h5-8,10,12,15H,9H2,1-4H3
InChIKeyHUBBLGWFLCMRPK-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.14
Rot. Bonds5

About N-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine

N-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine (PubChem CID 105001238) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine
PubChem CID105001238
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine
SMILESCNC(Cc1nn(C)c2ccccc12)C(C)S(C)(=O)=O
InChIInChI=1S/C14H21N3O2S/c1-10(20(4,18)19)12(15-2)9-13-11-7-5-6-8-14(11)17(3)16-13/h5-8,10,12,15H,9H2,1-4H3
InChIKeyHUBBLGWFLCMRPK-UHFFFAOYSA-N
XLogP1.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105318176
N,4-dimethyl-1-(1-methylindazol-3-yl)hexan-2-amine
CID 105001190
N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 83139294
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
N-methyl-1-(1-methylimidazol-4-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 107976079
N-[(1-methylindazol-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 63378560
1-(2-chlorofuran-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
CID 106692423
1-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
CID 115336622
N-methyl-2-(1-methylindazol-3-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105161454
3,3-dimethyl-2-[(1-methylindazol-3-yl)methyl]butanoic acid
CID 83137512
(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid
CID 83195291
1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
CID 79965394

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine?
The IUPAC name of N-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine (CID 105001238) is N-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine.
What is the SMILES notation for N-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine?
The canonical SMILES for N-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine is CNC(Cc1nn(C)c2ccccc12)C(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine?
The InChIKey is HUBBLGWFLCMRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10(20(4,18)19)12(15-2)9-13-11-7-5-6-8-14(11)17(3)16-13/h5-8,10,12,15H,9H2,1-4H3.
What are the key properties of N-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine?
N-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine has a molecular weight of 295.41 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine is sourced from PubChem (CID 105001238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).