N-[2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]cyclopropanamine

C15H22N2O2S — CID 82262240

IUPACN-[2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]cyclopropanamine
SMILESCC1Cc2cc(CCNC3CC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C15H22N2O2S/c1-11-9-13-10-12(7-8-16-14-4-5-14)3-6-15(13)17(11)20(2,18)19/h3,6,10-11,14,16H,4-5,7-9H2,1-2H3
InChIKeyQSWIFDKEPRWCQH-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.69
Rot. Bonds5

About N-[2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]cyclopropanamine

N-[2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]cyclopropanamine (PubChem CID 82262240) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]cyclopropanamine
PubChem CID82262240
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]cyclopropanamine
SMILESCC1Cc2cc(CCNC3CC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C15H22N2O2S/c1-11-9-13-10-12(7-8-16-14-4-5-14)3-6-15(13)17(11)20(2,18)19/h3,6,10-11,14,16H,4-5,7-9H2,1-2H3
InChIKeyQSWIFDKEPRWCQH-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]cyclopropanamine (CID 82262240) is N-[2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]cyclopropanamine is CC1Cc2cc(CCNC3CC3)ccc2N1S(C)(=O)=O.
What is the InChIKey of N-[2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]cyclopropanamine?
The InChIKey is QSWIFDKEPRWCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-9-13-10-12(7-8-16-14-4-5-14)3-6-15(13)17(11)20(2,18)19/h3,6,10-11,14,16H,4-5,7-9H2,1-2H3.
What are the key properties of N-[2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]cyclopropanamine?
N-[2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]cyclopropanamine has a molecular weight of 294.42 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 82262240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).