5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine

C12H16ClNOS — CID 115720823

IUPAC5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCS(=O)CCNC1CCc2cc(Cl)ccc21
InChIInChI=1S/C12H16ClNOS/c1-16(15)7-6-14-12-5-2-9-8-10(13)3-4-11(9)12/h3-4,8,12,14H,2,5-7H2,1H3
InChIKeyQPVRCGJWLQVECM-UHFFFAOYSA-N
MW257.79 g/mol
LogP2.30
Rot. Bonds4

About 5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine

5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 115720823) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is 5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID115720823
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC Name5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCS(=O)CCNC1CCc2cc(Cl)ccc21
InChIInChI=1S/C12H16ClNOS/c1-16(15)7-6-14-12-5-2-9-8-10(13)3-4-11(9)12/h3-4,8,12,14H,2,5-7H2,1H3
InChIKeyQPVRCGJWLQVECM-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682669
N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride
CID 139930761
5-chloro-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81339239
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 81321990
5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine
CID 81343383
(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97357898
5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978931
6-chloro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383375
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 81300774
5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103777234
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 119300808
1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79725130

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine (CID 115720823) is 5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine is CS(=O)CCNC1CCc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is QPVRCGJWLQVECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-16(15)7-6-14-12-5-2-9-8-10(13)3-4-11(9)12/h3-4,8,12,14H,2,5-7H2,1H3.
What are the key properties of 5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 257.79 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115720823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).