3-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-indene-1,3-diamine

C15H22N2S — CID 114121231

IUPAC3-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-indene-1,3-diamine
SMILESCSC1CCCC1NC1CC(N)c2ccccc21
InChIInChI=1S/C15H22N2S/c1-18-15-8-4-7-13(15)17-14-9-12(16)10-5-2-3-6-11(10)14/h2-3,5-6,12-15,17H,4,7-9,16H2,1H3
InChIKeyJQRFBIQMPVIWMT-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.00
Rot. Bonds3

About 3-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-indene-1,3-diamine

3-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-indene-1,3-diamine (PubChem CID 114121231) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-indene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-indene-1,3-diamine
PubChem CID114121231
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name3-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-indene-1,3-diamine
SMILESCSC1CCCC1NC1CC(N)c2ccccc21
InChIInChI=1S/C15H22N2S/c1-18-15-8-4-7-13(15)17-14-9-12(16)10-5-2-3-6-11(10)14/h2-3,5-6,12-15,17H,4,7-9,16H2,1H3
InChIKeyJQRFBIQMPVIWMT-UHFFFAOYSA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113262269
N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103786604
N-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103777434
N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931829
3-N-(4-aminocyclohexyl)-2,3-dihydro-1H-indene-1,3-diamine
CID 113365122
4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 103779434
5-chloro-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 113262270
N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103777363
1-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methylsulfanylcyclopentyl)urea
CID 71990385
3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine
CID 90395406
2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 104859269
(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-amine
CID 28502914

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-indene-1,3-diamine?
The IUPAC name of 3-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-indene-1,3-diamine (CID 114121231) is 3-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-indene-1,3-diamine.
What is the SMILES notation for 3-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-indene-1,3-diamine?
The canonical SMILES for 3-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-indene-1,3-diamine is CSC1CCCC1NC1CC(N)c2ccccc21.
What is the InChIKey of 3-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-indene-1,3-diamine?
The InChIKey is JQRFBIQMPVIWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-18-15-8-4-7-13(15)17-14-9-12(16)10-5-2-3-6-11(10)14/h2-3,5-6,12-15,17H,4,7-9,16H2,1H3.
What are the key properties of 3-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-indene-1,3-diamine?
3-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-indene-1,3-diamine has a molecular weight of 262.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-indene-1,3-diamine is sourced from PubChem (CID 114121231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).