N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine

C15H21NS — CID 62576543

IUPACN-(cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine
SMILESc1cc2c(cc1SCCNCC1CC1)CCC2
InChIInChI=1S/C15H21NS/c1-2-13-6-7-15(10-14(13)3-1)17-9-8-16-11-12-4-5-12/h6-7,10,12,16H,1-5,8-9,11H2
InChIKeyMOXINKAPERKXIH-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.27
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine

N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine (PubChem CID 62576543) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine
PubChem CID62576543
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC NameN-(cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine
SMILESc1cc2c(cc1SCCNCC1CC1)CCC2
InChIInChI=1S/C15H21NS/c1-2-13-6-7-15(10-14(13)3-1)17-9-8-16-11-12-4-5-12/h6-7,10,12,16H,1-5,8-9,11H2
InChIKeyMOXINKAPERKXIH-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine (CID 62576543) is N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine is c1cc2c(cc1SCCNCC1CC1)CCC2.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine?
The InChIKey is MOXINKAPERKXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-2-13-6-7-15(10-14(13)3-1)17-9-8-16-11-12-4-5-12/h6-7,10,12,16H,1-5,8-9,11H2.
What are the key properties of N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine?
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine has a molecular weight of 247.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine is sourced from PubChem (CID 62576543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).