1-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine

C14H22N2S — CID 80724304

IUPAC1-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
SMILESCC1(Cn2ccc3c2CCCC3N)CCCS1
InChIInChI=1S/C14H22N2S/c1-14(7-3-9-17-14)10-16-8-6-11-12(15)4-2-5-13(11)16/h6,8,12H,2-5,7,9-10,15H2,1H3
InChIKeyMALFZFMQOZWQTD-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.11
Rot. Bonds2

About 1-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine

1-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 80724304) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
PubChem CID80724304
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
SMILESCC1(Cn2ccc3c2CCCC3N)CCCS1
InChIInChI=1S/C14H22N2S/c1-14(7-3-9-17-14)10-16-8-6-11-12(15)4-2-5-13(11)16/h6,8,12H,2-5,7,9-10,15H2,1H3
InChIKeyMALFZFMQOZWQTD-UHFFFAOYSA-N
XLogP3.11
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine (CID 80724304) is 1-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine is CC1(Cn2ccc3c2CCCC3N)CCCS1.
What is the InChIKey of 1-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is MALFZFMQOZWQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-14(7-3-9-17-14)10-16-8-6-11-12(15)4-2-5-13(11)16/h6,8,12H,2-5,7,9-10,15H2,1H3.
What are the key properties of 1-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
1-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 250.41 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 80724304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).