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

C15H20ClNS — CID 113262270

IUPAC5-chloro-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-inden-1-amine
SMILESCSC1CCCC1NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClNS/c1-18-15-4-2-3-14(15)17-13-8-5-10-9-11(16)6-7-12(10)13/h6-7,9,13-15,17H,2-5,8H2,1H3
InChIKeyCVSWKVQXKAGJJJ-UHFFFAOYSA-N
MW281.85 g/mol
LogP4.20
Rot. Bonds3

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

5-chloro-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 113262270) has the molecular formula C15H20ClNS and a molecular weight of 281.85 g/mol. Its IUPAC name is 5-chloro-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID113262270
Molecular FormulaC15H20ClNS
Molecular Weight281.85 g/mol
Exact Mass281.10
IUPAC Name5-chloro-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-inden-1-amine
SMILESCSC1CCCC1NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClNS/c1-18-15-4-2-3-14(15)17-13-8-5-10-9-11(16)6-7-12(10)13/h6-7,9,13-15,17H,2-5,8H2,1H3
InChIKeyCVSWKVQXKAGJJJ-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-cyclopentyl-2,3-dihydro-1H-inden-1-amine
CID 81301651
N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113262269
[2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]cyclohexyl]methanol
CID 103785054
4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 103779434
5-chloro-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81339239
N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103786604
5-bromo-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 63420530
3-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-1-methylcyclobutane-1-carboxylic acid
CID 167783663
5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 104827853
N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103777363
N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride
CID 139930761
(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97357898

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-inden-1-amine (CID 113262270) is 5-chloro-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-inden-1-amine is CSC1CCCC1NC1CCc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CVSWKVQXKAGJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNS/c1-18-15-4-2-3-14(15)17-13-8-5-10-9-11(16)6-7-12(10)13/h6-7,9,13-15,17H,2-5,8H2,1H3.
What are the key properties of 5-chloro-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 281.85 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 113262270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).