N-[(6-chloro-1H-indol-3-yl)sulfanyl]-6-ethylpyridin-3-amine

C15H14ClN3S — CID 167205964

IUPACN-[(6-chloro-1H-indol-3-yl)sulfanyl]-6-ethylpyridin-3-amine
SMILESCCc1ccc(NSc2c[nH]c3cc(Cl)ccc23)cn1
InChIInChI=1S/C15H14ClN3S/c1-2-11-4-5-12(8-17-11)19-20-15-9-18-14-7-10(16)3-6-13(14)15/h3-9,18-19H,2H2,1H3
InChIKeyKOSIZVMVXSWQDC-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.90
Rot. Bonds4

About N-[(6-chloro-1H-indol-3-yl)sulfanyl]-6-ethylpyridin-3-amine

N-[(6-chloro-1H-indol-3-yl)sulfanyl]-6-ethylpyridin-3-amine (PubChem CID 167205964) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is N-[(6-chloro-1H-indol-3-yl)sulfanyl]-6-ethylpyridin-3-amine.

Molecular Properties

Compound NameN-[(6-chloro-1H-indol-3-yl)sulfanyl]-6-ethylpyridin-3-amine
PubChem CID167205964
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC NameN-[(6-chloro-1H-indol-3-yl)sulfanyl]-6-ethylpyridin-3-amine
SMILESCCc1ccc(NSc2c[nH]c3cc(Cl)ccc23)cn1
InChIInChI=1S/C15H14ClN3S/c1-2-11-4-5-12(8-17-11)19-20-15-9-18-14-7-10(16)3-6-13(14)15/h3-9,18-19H,2H2,1H3
InChIKeyKOSIZVMVXSWQDC-UHFFFAOYSA-N
XLogP4.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-but-2-ynoxy-N-[(6-chloro-1H-indol-3-yl)sulfanyl]-4-ethylpyrimidin-2-amine
CID 164907867
4-chloro-N-[(6-chloro-1H-indol-3-yl)sulfanyl]-5-propyl-1,2-thiazol-3-amine
CID 174183719
N-[(6-chloro-1H-indol-3-yl)sulfanyl]-5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-amine
CID 164908361
6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide
CID 113206447
N-butan-2-yl-6-chloro-1H-indole-3-carboxamide
CID 113206344
6-chloro-3-(2,2-dimethylpropyl)-1H-indole
CID 59153141
1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 68540753
1-(6-chloro-1H-indol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106369834
6-chloro-3-(ethoxymethyl)-1H-indole
CID 117178595
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine
CID 106328237
(1R)-1-(6-chloro-1H-indol-3-yl)ethanamine
CID 82759126
1-[6-(naphthalen-1-ylsulfanylamino)-1H-indol-3-yl]ethanone
CID 143179773

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-indol-3-yl)sulfanyl]-6-ethylpyridin-3-amine?
The IUPAC name of N-[(6-chloro-1H-indol-3-yl)sulfanyl]-6-ethylpyridin-3-amine (CID 167205964) is N-[(6-chloro-1H-indol-3-yl)sulfanyl]-6-ethylpyridin-3-amine.
What is the SMILES notation for N-[(6-chloro-1H-indol-3-yl)sulfanyl]-6-ethylpyridin-3-amine?
The canonical SMILES for N-[(6-chloro-1H-indol-3-yl)sulfanyl]-6-ethylpyridin-3-amine is CCc1ccc(NSc2c[nH]c3cc(Cl)ccc23)cn1.
What is the InChIKey of N-[(6-chloro-1H-indol-3-yl)sulfanyl]-6-ethylpyridin-3-amine?
The InChIKey is KOSIZVMVXSWQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-2-11-4-5-12(8-17-11)19-20-15-9-18-14-7-10(16)3-6-13(14)15/h3-9,18-19H,2H2,1H3.
What are the key properties of N-[(6-chloro-1H-indol-3-yl)sulfanyl]-6-ethylpyridin-3-amine?
N-[(6-chloro-1H-indol-3-yl)sulfanyl]-6-ethylpyridin-3-amine has a molecular weight of 303.82 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-indol-3-yl)sulfanyl]-6-ethylpyridin-3-amine is sourced from PubChem (CID 167205964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).