N-[2-(1H-indazol-4-ylamino)ethyl]-N-methylmethanesulfonamide

C11H16N4O2S — CID 121326408

IUPACN-[2-(1H-indazol-4-ylamino)ethyl]-N-methylmethanesulfonamide
SMILESCN(CCNc1cccc2[nH]ncc12)S(C)(=O)=O
InChIInChI=1S/C11H16N4O2S/c1-15(18(2,16)17)7-6-12-10-4-3-5-11-9(10)8-13-14-11/h3-5,8,12H,6-7H2,1-2H3,(H,13,14)
InChIKeyOJYGPHVAUISNAA-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.87
Rot. Bonds5

About N-[2-(1H-indazol-4-ylamino)ethyl]-N-methylmethanesulfonamide

N-[2-(1H-indazol-4-ylamino)ethyl]-N-methylmethanesulfonamide (PubChem CID 121326408) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[2-(1H-indazol-4-ylamino)ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indazol-4-ylamino)ethyl]-N-methylmethanesulfonamide
PubChem CID121326408
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-[2-(1H-indazol-4-ylamino)ethyl]-N-methylmethanesulfonamide
SMILESCN(CCNc1cccc2[nH]ncc12)S(C)(=O)=O
InChIInChI=1S/C11H16N4O2S/c1-15(18(2,16)17)7-6-12-10-4-3-5-11-9(10)8-13-14-11/h3-5,8,12H,6-7H2,1-2H3,(H,13,14)
InChIKeyOJYGPHVAUISNAA-UHFFFAOYSA-N
XLogP0.87
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-(1H-indazol-4-yl)propanamide
CID 110481555
2-(dimethylamino)-N-(1H-indazol-4-yl)acetamide
CID 110479732
N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 47267980
N-(1H-indazol-4-yl)propanamide
CID 61035756
N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide
CID 66418442
N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide
CID 53356006
2-amino-N-(1H-indazol-4-yl)benzenesulfonamide
CID 61113813
3-(tert-butylamino)-N-(1H-indazol-4-yl)propanamide
CID 54863202
2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide
CID 60524877
N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 60579360
N-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine
CID 54865666
3-[2-[2-(1H-indazol-4-ylamino)ethylamino]ethyl]phenol
CID 54367835

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indazol-4-ylamino)ethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-(1H-indazol-4-ylamino)ethyl]-N-methylmethanesulfonamide (CID 121326408) is N-[2-(1H-indazol-4-ylamino)ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-(1H-indazol-4-ylamino)ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-(1H-indazol-4-ylamino)ethyl]-N-methylmethanesulfonamide is CN(CCNc1cccc2[nH]ncc12)S(C)(=O)=O.
What is the InChIKey of N-[2-(1H-indazol-4-ylamino)ethyl]-N-methylmethanesulfonamide?
The InChIKey is OJYGPHVAUISNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-15(18(2,16)17)7-6-12-10-4-3-5-11-9(10)8-13-14-11/h3-5,8,12H,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(1H-indazol-4-ylamino)ethyl]-N-methylmethanesulfonamide?
N-[2-(1H-indazol-4-ylamino)ethyl]-N-methylmethanesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indazol-4-ylamino)ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 121326408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).