N,N-dimethyl-2-(6-thiomorpholin-4-yl-7,7a-dihydroindol-1-yl)ethanamine

C16H25N3S — CID 70188838

IUPACN,N-dimethyl-2-(6-thiomorpholin-4-yl-7,7a-dihydroindol-1-yl)ethanamine
SMILESCN(C)CCN1C=CC2=CC=C(N3CCSCC3)CC21
InChIInChI=1S/C16H25N3S/c1-17(2)7-8-19-6-5-14-3-4-15(13-16(14)19)18-9-11-20-12-10-18/h3-6,16H,7-13H2,1-2H3
InChIKeyBHVSQWCEBNBNLJ-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.01
Rot. Bonds4

About N,N-dimethyl-2-(6-thiomorpholin-4-yl-7,7a-dihydroindol-1-yl)ethanamine

N,N-dimethyl-2-(6-thiomorpholin-4-yl-7,7a-dihydroindol-1-yl)ethanamine (PubChem CID 70188838) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N,N-dimethyl-2-(6-thiomorpholin-4-yl-7,7a-dihydroindol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(6-thiomorpholin-4-yl-7,7a-dihydroindol-1-yl)ethanamine
PubChem CID70188838
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC NameN,N-dimethyl-2-(6-thiomorpholin-4-yl-7,7a-dihydroindol-1-yl)ethanamine
SMILESCN(C)CCN1C=CC2=CC=C(N3CCSCC3)CC21
InChIInChI=1S/C16H25N3S/c1-17(2)7-8-19-6-5-14-3-4-15(13-16(14)19)18-9-11-20-12-10-18/h3-6,16H,7-13H2,1-2H3
InChIKeyBHVSQWCEBNBNLJ-UHFFFAOYSA-N
XLogP2.01
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(6-thiomorpholin-4-yl-7,7a-dihydroindol-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(6-thiomorpholin-4-yl-7,7a-dihydroindol-1-yl)ethanamine (CID 70188838) is N,N-dimethyl-2-(6-thiomorpholin-4-yl-7,7a-dihydroindol-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(6-thiomorpholin-4-yl-7,7a-dihydroindol-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(6-thiomorpholin-4-yl-7,7a-dihydroindol-1-yl)ethanamine is CN(C)CCN1C=CC2=CC=C(N3CCSCC3)CC21.
What is the InChIKey of N,N-dimethyl-2-(6-thiomorpholin-4-yl-7,7a-dihydroindol-1-yl)ethanamine?
The InChIKey is BHVSQWCEBNBNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-17(2)7-8-19-6-5-14-3-4-15(13-16(14)19)18-9-11-20-12-10-18/h3-6,16H,7-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(6-thiomorpholin-4-yl-7,7a-dihydroindol-1-yl)ethanamine?
N,N-dimethyl-2-(6-thiomorpholin-4-yl-7,7a-dihydroindol-1-yl)ethanamine has a molecular weight of 291.46 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(6-thiomorpholin-4-yl-7,7a-dihydroindol-1-yl)ethanamine is sourced from PubChem (CID 70188838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).