1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine

C17H20ClNS2 — CID 63537073

IUPAC1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine
SMILESCCC(N)C(Sc1ccc2c(c1)CCC2)c1ccc(Cl)s1
InChIInChI=1S/C17H20ClNS2/c1-2-14(19)17(15-8-9-16(18)21-15)20-13-7-6-11-4-3-5-12(11)10-13/h6-10,14,17H,2-5,19H2,1H3
InChIKeyDYIURDDPQKFESD-UHFFFAOYSA-N
MW337.94 g/mol
LogP5.46
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine

1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine (PubChem CID 63537073) has the molecular formula C17H20ClNS2 and a molecular weight of 337.94 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine
PubChem CID63537073
Molecular FormulaC17H20ClNS2
Molecular Weight337.94 g/mol
Exact Mass337.07
IUPAC Name1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine
SMILESCCC(N)C(Sc1ccc2c(c1)CCC2)c1ccc(Cl)s1
InChIInChI=1S/C17H20ClNS2/c1-2-14(19)17(15-8-9-16(18)21-15)20-13-7-6-11-4-3-5-12(11)10-13/h6-10,14,17H,2-5,19H2,1H3
InChIKeyDYIURDDPQKFESD-UHFFFAOYSA-N
XLogP5.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.94
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine with MolForge

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Related Compounds

1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 65039022
1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine
CID 115478382
5-[2-amino-1-(5-chlorothiophen-2-yl)butyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738168
3-[2-amino-1-(5-chlorothiophen-2-yl)butyl]sulfanylpropane-1,2-diol
CID 79682275
2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115841589
1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine
CID 63819994
1-(2,5-dichlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)butan-2-amine
CID 63536892
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine
CID 103494158
1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 43114556
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
CID 106933303
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal
CID 165440470

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine (CID 63537073) is 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine is CCC(N)C(Sc1ccc2c(c1)CCC2)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine?
The InChIKey is DYIURDDPQKFESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNS2/c1-2-14(19)17(15-8-9-16(18)21-15)20-13-7-6-11-4-3-5-12(11)10-13/h6-10,14,17H,2-5,19H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine?
1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine has a molecular weight of 337.94 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine is sourced from PubChem (CID 63537073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).