2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine

C16H17NS — CID 64628290

IUPAC2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1cccc(SC2Cc3ccccc3C2N)c1
InChIInChI=1S/C16H17NS/c1-11-5-4-7-13(9-11)18-15-10-12-6-2-3-8-14(12)16(15)17/h2-9,15-16H,10,17H2,1H3
InChIKeyAUWVDJNTOMKJJZ-UHFFFAOYSA-N
MW255.39 g/mol
LogP3.71
Rot. Bonds2

About 2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine

2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 64628290) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
PubChem CID64628290
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC Name2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1cccc(SC2Cc3ccccc3C2N)c1
InChIInChI=1S/C16H17NS/c1-11-5-4-7-13(9-11)18-15-10-12-6-2-3-8-14(12)16(15)17/h2-9,15-16H,10,17H2,1H3
InChIKeyAUWVDJNTOMKJJZ-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 115479385
N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide
CID 64648963
2-propan-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64633837
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64647889
2-(2,4-dimethylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64619553
2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 64612132
6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64619980
trans-(1S,2S)-2-(3-methylphenyl)sulfanylcyclohexan-1-ol
CID 102732787
2-(3-methylphenyl)sulfanylcyclopentan-1-ol
CID 61244535
2-pyrimidin-4-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64628654
4-methyl-2-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420497
5-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 64610052

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine (CID 64628290) is 2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine is Cc1cccc(SC2Cc3ccccc3C2N)c1.
What is the InChIKey of 2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is AUWVDJNTOMKJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS/c1-11-5-4-7-13(9-11)18-15-10-12-6-2-3-8-14(12)16(15)17/h2-9,15-16H,10,17H2,1H3.
What are the key properties of 2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 255.39 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64628290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).