1-N-(3,4-dihydro-2H-thiochromen-6-yl)-1-N-methylcyclopentane-1,2-diamine

C15H22N2S — CID 115117308

IUPAC1-N-(3,4-dihydro-2H-thiochromen-6-yl)-1-N-methylcyclopentane-1,2-diamine
SMILESCN(c1ccc2c(c1)CCCS2)C1CCCC1N
InChIInChI=1S/C15H22N2S/c1-17(14-6-2-5-13(14)16)12-7-8-15-11(10-12)4-3-9-18-15/h7-8,10,13-14H,2-6,9,16H2,1H3
InChIKeyCLLQFZHUSAJMCG-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.04
Rot. Bonds2

About 1-N-(3,4-dihydro-2H-thiochromen-6-yl)-1-N-methylcyclopentane-1,2-diamine

1-N-(3,4-dihydro-2H-thiochromen-6-yl)-1-N-methylcyclopentane-1,2-diamine (PubChem CID 115117308) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-N-(3,4-dihydro-2H-thiochromen-6-yl)-1-N-methylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,4-dihydro-2H-thiochromen-6-yl)-1-N-methylcyclopentane-1,2-diamine
PubChem CID115117308
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name1-N-(3,4-dihydro-2H-thiochromen-6-yl)-1-N-methylcyclopentane-1,2-diamine
SMILESCN(c1ccc2c(c1)CCCS2)C1CCCC1N
InChIInChI=1S/C15H22N2S/c1-17(14-6-2-5-13(14)16)12-7-8-15-11(10-12)4-3-9-18-15/h7-8,10,13-14H,2-6,9,16H2,1H3
InChIKeyCLLQFZHUSAJMCG-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine
CID 115117218
[3,4-dihydro-2H-thiochromen-6-yl(methyl)amino]methanethiol
CID 115227824
1-amino-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylcyclopropane-1-carboxamide
CID 115189752
N'-(3,4-dihydro-2H-thiochromen-6-yl)-N,N'-dimethylmethanediamine
CID 115226735
2-[3,4-dihydro-2H-thiochromen-6-yl(methyl)amino]ethanethiol
CID 115223862
3-N-(3,4-dihydro-2H-thiochromen-6-yl)-3-N-methylpropane-1,2,3-triamine
CID 115119597
1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117215
2-chloro-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylacetamide
CID 115161946
5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one
CID 115117886
1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
CID 115117252
1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117484
3-[3,4-dihydro-2H-thiochromen-6-yl(methyl)amino]-2-methylpropanoic acid
CID 115219368

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dihydro-2H-thiochromen-6-yl)-1-N-methylcyclopentane-1,2-diamine?
The IUPAC name of 1-N-(3,4-dihydro-2H-thiochromen-6-yl)-1-N-methylcyclopentane-1,2-diamine (CID 115117308) is 1-N-(3,4-dihydro-2H-thiochromen-6-yl)-1-N-methylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(3,4-dihydro-2H-thiochromen-6-yl)-1-N-methylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(3,4-dihydro-2H-thiochromen-6-yl)-1-N-methylcyclopentane-1,2-diamine is CN(c1ccc2c(c1)CCCS2)C1CCCC1N.
What is the InChIKey of 1-N-(3,4-dihydro-2H-thiochromen-6-yl)-1-N-methylcyclopentane-1,2-diamine?
The InChIKey is CLLQFZHUSAJMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-17(14-6-2-5-13(14)16)12-7-8-15-11(10-12)4-3-9-18-15/h7-8,10,13-14H,2-6,9,16H2,1H3.
What are the key properties of 1-N-(3,4-dihydro-2H-thiochromen-6-yl)-1-N-methylcyclopentane-1,2-diamine?
1-N-(3,4-dihydro-2H-thiochromen-6-yl)-1-N-methylcyclopentane-1,2-diamine has a molecular weight of 262.42 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dihydro-2H-thiochromen-6-yl)-1-N-methylcyclopentane-1,2-diamine is sourced from PubChem (CID 115117308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).