1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)propan-2-amine

C14H20N2O2S — CID 83984997

IUPAC1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)propan-2-amine
SMILESCc1c(CC(C)N)c2cc(S(C)(=O)=O)ccc2n1C
InChIInChI=1S/C14H20N2O2S/c1-9(15)7-12-10(2)16(3)14-6-5-11(8-13(12)14)19(4,17)18/h5-6,8-9H,7,15H2,1-4H3
InChIKeyBZFNGAPJLSLIIS-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.78
Rot. Bonds3

About 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)propan-2-amine

1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)propan-2-amine (PubChem CID 83984997) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)propan-2-amine
PubChem CID83984997
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)propan-2-amine
SMILESCc1c(CC(C)N)c2cc(S(C)(=O)=O)ccc2n1C
InChIInChI=1S/C14H20N2O2S/c1-9(15)7-12-10(2)16(3)14-6-5-11(8-13(12)14)19(4,17)18/h5-6,8-9H,7,15H2,1-4H3
InChIKeyBZFNGAPJLSLIIS-UHFFFAOYSA-N
XLogP1.78
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)-N-methylpropan-2-amine
CID 83985006
1-(1,2,3-trimethylindol-5-yl)propan-2-amine
CID 115006318
4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine
CID 82498291
2-[5-(3-(19F)fluoro-5-fluorophenyl)sulfonyl-1,2-dimethylindol-3-yl]ethanamine
CID 10133373
2-(1,2-dimethyl-5-methylsulfonylindol-3-yl)-1,1,1-trifluoropropan-2-ol
CID 83985002
(2R)-1-(4-methylsulfonylphenyl)propan-2-amine
CID 12006738
1-(4-methylsulfonyl-2-nitrophenyl)propan-2-amine
CID 63196881
5-(benzenesulfonyl)-3-(3,3-dimethylbutyl)-1,2-dimethylindole
CID 173217873
1-(1,2,3-trimethylindol-6-yl)propan-2-amine
CID 117308494
2-(1,2-dimethyl-5-naphthalen-1-ylsulfonylindol-3-yl)ethanamine
CID 10199679
4-(1,2,6-trimethylindol-3-yl)butan-2-amine
CID 82495296
2-amino-3-(1,2-dimethyl-5-pyridin-4-ylindol-3-yl)propanoic acid
CID 126584122

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)propan-2-amine?
The IUPAC name of 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)propan-2-amine (CID 83984997) is 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)propan-2-amine?
The canonical SMILES for 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)propan-2-amine is Cc1c(CC(C)N)c2cc(S(C)(=O)=O)ccc2n1C.
What is the InChIKey of 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)propan-2-amine?
The InChIKey is BZFNGAPJLSLIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9(15)7-12-10(2)16(3)14-6-5-11(8-13(12)14)19(4,17)18/h5-6,8-9H,7,15H2,1-4H3.
What are the key properties of 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)propan-2-amine?
1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)propan-2-amine has a molecular weight of 280.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)propan-2-amine is sourced from PubChem (CID 83984997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).