N-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C15H21NS — CID 80723040

IUPACN-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC1(CNC2CCc3ccccc32)CCCS1
InChIInChI=1S/C15H21NS/c1-15(9-4-10-17-15)11-16-14-8-7-12-5-2-3-6-13(12)14/h2-3,5-6,14,16H,4,7-11H2,1H3
InChIKeyCJGHIOIWFQNJNK-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.55
Rot. Bonds3

About N-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine

N-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 80723040) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID80723040
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC1(CNC2CCc3ccccc32)CCCS1
InChIInChI=1S/C15H21NS/c1-15(9-4-10-17-15)11-16-14-8-7-12-5-2-3-6-13(12)14/h2-3,5-6,14,16H,4,7-11H2,1H3
InChIKeyCJGHIOIWFQNJNK-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol
CID 54937894
3-(2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]cyclobutan-1-amine
CID 80725303
2-bromo-N-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690367
5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108912
1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one
CID 80726722
2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701284
(1R)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 97104066
N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107266111
cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 97323296
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878
N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 113443436
N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine
CID 24702173

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 80723040) is N-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine is CC1(CNC2CCc3ccccc32)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CJGHIOIWFQNJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-15(9-4-10-17-15)11-16-14-8-7-12-5-2-3-6-13(12)14/h2-3,5-6,14,16H,4,7-11H2,1H3.
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 247.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 80723040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).