N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1,3-dimethylpyrazole-4-sulfonamide

C14H18N4O2S — CID 138021151

IUPACN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)N[C@@H]1Cc2ccccc2[C@H]1N
InChIInChI=1S/C14H18N4O2S/c1-9-13(8-18(2)16-9)21(19,20)17-12-7-10-5-3-4-6-11(10)14(12)15/h3-6,8,12,14,17H,7,15H2,1-2H3/t12-,14-/m1/s1
InChIKeyTYGQGKFOEZDCAR-TZMCWYRMSA-N
MW306.39 g/mol
LogP0.63
Rot. Bonds3

About N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1,3-dimethylpyrazole-4-sulfonamide

N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 138021151) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID138021151
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)N[C@@H]1Cc2ccccc2[C@H]1N
InChIInChI=1S/C14H18N4O2S/c1-9-13(8-18(2)16-9)21(19,20)17-12-7-10-5-3-4-6-11(10)14(12)15/h3-6,8,12,14,17H,7,15H2,1-2H3/t12-,14-/m1/s1
InChIKeyTYGQGKFOEZDCAR-TZMCWYRMSA-N
XLogP0.63
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1,3-dimethylpyrazole-4-sulfonamide (CID 138021151) is N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)N[C@@H]1Cc2ccccc2[C@H]1N.
What is the InChIKey of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is TYGQGKFOEZDCAR-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9-13(8-18(2)16-9)21(19,20)17-12-7-10-5-3-4-6-11(10)14(12)15/h3-6,8,12,14,17H,7,15H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 138021151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).