(3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine

C14H19N3O2S — CID 120999176

IUPAC(3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine
SMILESCc1c(S(=O)(=O)N2CC[C@@H](N)C2)c2ccccc2n1C
InChIInChI=1S/C14H19N3O2S/c1-10-14(12-5-3-4-6-13(12)16(10)2)20(18,19)17-8-7-11(15)9-17/h3-6,11H,7-9,15H2,1-2H3/t11-/m1/s1
InChIKeyKUMCSMQWIKDXOM-LLVKDONJSA-N
MW293.39 g/mol
LogP1.21
Rot. Bonds2

About (3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine

(3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine (PubChem CID 120999176) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is (3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine
PubChem CID120999176
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name(3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine
SMILESCc1c(S(=O)(=O)N2CC[C@@H](N)C2)c2ccccc2n1C
InChIInChI=1S/C14H19N3O2S/c1-10-14(12-5-3-4-6-13(12)16(10)2)20(18,19)17-8-7-11(15)9-17/h3-6,11H,7-9,15H2,1-2H3/t11-/m1/s1
InChIKeyKUMCSMQWIKDXOM-LLVKDONJSA-N
XLogP1.21
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine (CID 120999176) is (3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine is Cc1c(S(=O)(=O)N2CC[C@@H](N)C2)c2ccccc2n1C.
What is the InChIKey of (3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine?
The InChIKey is KUMCSMQWIKDXOM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-14(12-5-3-4-6-13(12)16(10)2)20(18,19)17-8-7-11(15)9-17/h3-6,11H,7-9,15H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine?
(3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine has a molecular weight of 293.39 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 120999176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).