4-anilinosulfanyl-N-[(4R)-4-methylcyclohex-2-en-1-yl]sulfanylaniline;methanol

C20H26N2OS2 — CID 143264429

IUPAC4-anilinosulfanyl-N-[(4R)-4-methylcyclohex-2-en-1-yl]sulfanylaniline;methanol
SMILESCO.C[C@H]1C=CC(SNc2ccc(SNc3ccccc3)cc2)CC1
InChIInChI=1S/C19H22N2S2.CH4O/c1-15-7-11-18(12-8-15)22-21-17-9-13-19(14-10-17)23-20-16-5-3-2-4-6-16;1-2/h2-7,9-11,13-15,18,20-21H,8,12H2,1H3;2H,1H3/t15-,18?;/m0./s1
InChIKeyJLNIFPNQPOBYHL-PDFNFFLASA-N
MW374.58 g/mol
LogP5.83
Rot. Bonds6

About 4-anilinosulfanyl-N-[(4R)-4-methylcyclohex-2-en-1-yl]sulfanylaniline;methanol

4-anilinosulfanyl-N-[(4R)-4-methylcyclohex-2-en-1-yl]sulfanylaniline;methanol (PubChem CID 143264429) has the molecular formula C20H26N2OS2 and a molecular weight of 374.58 g/mol. Its IUPAC name is 4-anilinosulfanyl-N-[(4R)-4-methylcyclohex-2-en-1-yl]sulfanylaniline;methanol.

Molecular Properties

Compound Name4-anilinosulfanyl-N-[(4R)-4-methylcyclohex-2-en-1-yl]sulfanylaniline;methanol
PubChem CID143264429
Molecular FormulaC20H26N2OS2
Molecular Weight374.58 g/mol
Exact Mass374.15
IUPAC Name4-anilinosulfanyl-N-[(4R)-4-methylcyclohex-2-en-1-yl]sulfanylaniline;methanol
SMILESCO.C[C@H]1C=CC(SNc2ccc(SNc3ccccc3)cc2)CC1
InChIInChI=1S/C19H22N2S2.CH4O/c1-15-7-11-18(12-8-15)22-21-17-9-13-19(14-10-17)23-20-16-5-3-2-4-6-16;1-2/h2-7,9-11,13-15,18,20-21H,8,12H2,1H3;2H,1H3/t15-,18?;/m0./s1
InChIKeyJLNIFPNQPOBYHL-PDFNFFLASA-N
XLogP5.83
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.58
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-anilinosulfanyl-N-[(4R)-4-methylcyclohex-2-en-1-yl]sulfanylaniline;methanol with MolForge

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Related Compounds

N-(4-tert-butylphenyl)sulfanylaniline
CID 145226245
N-hydroxy-4-(phenylsulfanylamino)benzeneamine oxide
CID 21142610
N-pyridin-4-ylsulfanylaniline
CID 154074799
N-(oxetan-3-ylsulfanyl)aniline
CID 168724898
4-methyl-N-[4-(pyridin-2-ylamino)sulfanylphenyl]benzamide
CID 145039707
O-[(1S,4R)-4-methylcyclohex-2-en-1-yl] benzenecarbothioate
CID 134859232
N-(4-methylcyclohexa-1,5-dien-1-yl)aniline
CID 129261105
N-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide
CID 170977094
N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide
CID 110178754
3-[(4-anilinophenyl)sulfanylamino]oxolan-2-one
CID 144680030
N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol
CID 143136691
6-phenyl-N-phenylsulfanylpyridin-3-amine
CID 57041471

Frequently Asked Questions

What is the IUPAC name of 4-anilinosulfanyl-N-[(4R)-4-methylcyclohex-2-en-1-yl]sulfanylaniline;methanol?
The IUPAC name of 4-anilinosulfanyl-N-[(4R)-4-methylcyclohex-2-en-1-yl]sulfanylaniline;methanol (CID 143264429) is 4-anilinosulfanyl-N-[(4R)-4-methylcyclohex-2-en-1-yl]sulfanylaniline;methanol.
What is the SMILES notation for 4-anilinosulfanyl-N-[(4R)-4-methylcyclohex-2-en-1-yl]sulfanylaniline;methanol?
The canonical SMILES for 4-anilinosulfanyl-N-[(4R)-4-methylcyclohex-2-en-1-yl]sulfanylaniline;methanol is CO.C[C@H]1C=CC(SNc2ccc(SNc3ccccc3)cc2)CC1.
What is the InChIKey of 4-anilinosulfanyl-N-[(4R)-4-methylcyclohex-2-en-1-yl]sulfanylaniline;methanol?
The InChIKey is JLNIFPNQPOBYHL-PDFNFFLASA-N. The full InChI is InChI=1S/C19H22N2S2.CH4O/c1-15-7-11-18(12-8-15)22-21-17-9-13-19(14-10-17)23-20-16-5-3-2-4-6-16;1-2/h2-7,9-11,13-15,18,20-21H,8,12H2,1H3;2H,1H3/t15-,18?;/m0./s1.
What are the key properties of 4-anilinosulfanyl-N-[(4R)-4-methylcyclohex-2-en-1-yl]sulfanylaniline;methanol?
4-anilinosulfanyl-N-[(4R)-4-methylcyclohex-2-en-1-yl]sulfanylaniline;methanol has a molecular weight of 374.58 g/mol, XLogP of 5.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilinosulfanyl-N-[(4R)-4-methylcyclohex-2-en-1-yl]sulfanylaniline;methanol is sourced from PubChem (CID 143264429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).