2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine

C16H16ClNOS — CID 64657981

IUPAC2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1S(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClNOS/c1-18-16-14-8-3-2-5-11(14)9-15(16)20(19)13-7-4-6-12(17)10-13/h2-8,10,15-16,18H,9H2,1H3
InChIKeyLFEBRWKYHDDKJT-UHFFFAOYSA-N
MW305.83 g/mol
LogP3.33
Rot. Bonds3

About 2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine

2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 64657981) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID64657981
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC Name2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1S(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClNOS/c1-18-16-14-8-3-2-5-11(14)9-15(16)20(19)13-7-4-6-12(17)10-13/h2-8,10,15-16,18H,9H2,1H3
InChIKeyLFEBRWKYHDDKJT-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-methylsulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64656013
N-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64655159
2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658968
2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64659234
6-(benzenesulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64658647
2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64659353
3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine
CID 64904088
3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64904089
2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64619137
N,2-dimethyl-2,3-dihydro-1H-inden-1-amine;ethane
CID 142067268
2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656680
3-(3-chlorophenyl)sulfinyloxan-4-amine
CID 64658960

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 64657981) is 2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1c2ccccc2CC1S(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is LFEBRWKYHDDKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-18-16-14-8-3-2-5-11(14)9-15(16)20(19)13-7-4-6-12(17)10-13/h2-8,10,15-16,18H,9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 305.83 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64657981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).