1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride

C12H13ClN2O3S — CID 82914753

IUPAC1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride
SMILESCC(Cn1cc(S(=O)(=O)Cl)c2ccccc21)C(N)=O
InChIInChI=1S/C12H13ClN2O3S/c1-8(12(14)16)6-15-7-11(19(13,17)18)9-4-2-3-5-10(9)15/h2-5,7-8H,6H2,1H3,(H2,14,16)
InChIKeyUOJHZFFXKBKGJY-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.69
Rot. Bonds4

About 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride

1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride (PubChem CID 82914753) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride
PubChem CID82914753
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride
SMILESCC(Cn1cc(S(=O)(=O)Cl)c2ccccc21)C(N)=O
InChIInChI=1S/C12H13ClN2O3S/c1-8(12(14)16)6-15-7-11(19(13,17)18)9-4-2-3-5-10(9)15/h2-5,7-8H,6H2,1H3,(H2,14,16)
InChIKeyUOJHZFFXKBKGJY-UHFFFAOYSA-N
XLogP1.69
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-prop-2-enylindole-3-sulfonyl chloride
CID 82915352
2-methyl-3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanamide
CID 66400947
1-[(E)-2,3-dichloroprop-2-enyl]indole-3-sulfonyl chloride
CID 82915350
1-(cyclopropylmethyl)indole-3-sulfonyl chloride
CID 82696799
1-methylindole-3-sulfonyl chloride
CID 55280184
1-(3-amino-2-methyl-3-oxopropyl)imidazole-4-sulfonyl chloride
CID 82912457
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride
CID 107915023
3-indol-1-yl-2-methylpropanamide
CID 63811423
1-pent-4-enylindole-3-sulfonyl chloride
CID 82914607
1-[(1-methylimidazol-2-yl)methyl]indole-3-sulfonyl chloride
CID 82914378
3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309
1-(3-phenylindol-1-yl)propan-2-amine
CID 154276065

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride?
The IUPAC name of 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride (CID 82914753) is 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride.
What is the SMILES notation for 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride?
The canonical SMILES for 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride is CC(Cn1cc(S(=O)(=O)Cl)c2ccccc21)C(N)=O.
What is the InChIKey of 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride?
The InChIKey is UOJHZFFXKBKGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-8(12(14)16)6-15-7-11(19(13,17)18)9-4-2-3-5-10(9)15/h2-5,7-8H,6H2,1H3,(H2,14,16).
What are the key properties of 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride?
1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride has a molecular weight of 300.77 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride is sourced from PubChem (CID 82914753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).