N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methylidene]hydroxylamine

C17H17N3OS2 — CID 162653957

IUPACN-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methylidene]hydroxylamine
SMILESCSc1cc(C(=NO)c2ccc3c(ccn3C)c2)cc(SC)n1
InChIInChI=1S/C17H17N3OS2/c1-20-7-6-11-8-12(4-5-14(11)20)17(19-21)13-9-15(22-2)18-16(10-13)23-3/h4-10,21H,1-3H3
InChIKeyVRWBUUKSVSPYEB-UHFFFAOYSA-N
MW343.48 g/mol
LogP4.24
Rot. Bonds4

About N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methylidene]hydroxylamine

N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methylidene]hydroxylamine (PubChem CID 162653957) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methylidene]hydroxylamine
PubChem CID162653957
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC NameN-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methylidene]hydroxylamine
SMILESCSc1cc(C(=NO)c2ccc3c(ccn3C)c2)cc(SC)n1
InChIInChI=1S/C17H17N3OS2/c1-20-7-6-11-8-12(4-5-14(11)20)17(19-21)13-9-15(22-2)18-16(10-13)23-3/h4-10,21H,1-3H3
InChIKeyVRWBUUKSVSPYEB-UHFFFAOYSA-N
XLogP4.24
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Latrepirdine
CID 197033
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
2,8-dimethyl-5-(2-(pyridin-4-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 621659
5-[1-(2,6-Dimethyl-4-pyridinyl)ethenyl]-1-methylindole
CID 155554901
methyl 1-methyl-3-[(4-methyl-1-piperazinyl)methyl]-1H-indol-2-yl sulfide
CID 23723145
1-Ethyl-2-(3-ethyl-3H-benzothiazol-2-ylidenemethyl)-6-methyl-quinolinium
CID 12004724
2,3,4,5-tetrahydro-2,8-dimethyl-5-(2-(pyridin-2-yl)ethyl)-1H-pyrido[4,3-b]indole
CID 44126329
2,8-Dimethyl-5-(2-(pyridin-3-yl)ethyl)-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole
CID 44126330
Thiazole orange iodide [MI]
CID 134109512
[2,6-Bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanone
CID 162646846

Frequently Asked Questions

What is the IUPAC name of N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methylidene]hydroxylamine?
The IUPAC name of N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methylidene]hydroxylamine (CID 162653957) is N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methylidene]hydroxylamine is CSc1cc(C(=NO)c2ccc3c(ccn3C)c2)cc(SC)n1.
What is the InChIKey of N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methylidene]hydroxylamine?
The InChIKey is VRWBUUKSVSPYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-20-7-6-11-8-12(4-5-14(11)20)17(19-21)13-9-15(22-2)18-16(10-13)23-3/h4-10,21H,1-3H3.
What are the key properties of N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methylidene]hydroxylamine?
N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methylidene]hydroxylamine has a molecular weight of 343.48 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 162653957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).