N'-[1-(2,6-dimethylphenyl)ethyl]-4-methylbenzenesulfinohydrazide

C17H22N2OS — CID 176557213

IUPACN'-[1-(2,6-dimethylphenyl)ethyl]-4-methylbenzenesulfinohydrazide
SMILESCc1ccc(S(=O)NNC(C)c2c(C)cccc2C)cc1
InChIInChI=1S/C17H22N2OS/c1-12-8-10-16(11-9-12)21(20)19-18-15(4)17-13(2)6-5-7-14(17)3/h5-11,15,18-19H,1-4H3
InChIKeyZCOFYTPECFMDSL-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.49
Rot. Bonds5

About N'-[1-(2,6-dimethylphenyl)ethyl]-4-methylbenzenesulfinohydrazide

N'-[1-(2,6-dimethylphenyl)ethyl]-4-methylbenzenesulfinohydrazide (PubChem CID 176557213) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N'-[1-(2,6-dimethylphenyl)ethyl]-4-methylbenzenesulfinohydrazide.

Molecular Properties

Compound NameN'-[1-(2,6-dimethylphenyl)ethyl]-4-methylbenzenesulfinohydrazide
PubChem CID176557213
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN'-[1-(2,6-dimethylphenyl)ethyl]-4-methylbenzenesulfinohydrazide
SMILESCc1ccc(S(=O)NNC(C)c2c(C)cccc2C)cc1
InChIInChI=1S/C17H22N2OS/c1-12-8-10-16(11-9-12)21(20)19-18-15(4)17-13(2)6-5-7-14(17)3/h5-11,15,18-19H,1-4H3
InChIKeyZCOFYTPECFMDSL-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide
CID 171487084
4-methyl-N-[1-(methylamino)propan-2-yl]benzenesulfinamide
CID 142604028
(NE,S)-4-methyl-N-(3-methylbutan-2-ylidene)benzenesulfinamide
CID 135085740
[(4-methylphenyl)sulfinylamino]phosphonous acid
CID 167063351
N-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane
CID 142604034
N-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide
CID 170607634
N-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine
CID 130674214
1-[(1S)-1-chloroethyl]sulfinyl-4-methylbenzene
CID 102275551
(R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide
CID 11247321
methylsulfinylmethane;1,2,3-trimethylbenzene
CID 174947389
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
deuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane
CID 158876581

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,6-dimethylphenyl)ethyl]-4-methylbenzenesulfinohydrazide?
The IUPAC name of N'-[1-(2,6-dimethylphenyl)ethyl]-4-methylbenzenesulfinohydrazide (CID 176557213) is N'-[1-(2,6-dimethylphenyl)ethyl]-4-methylbenzenesulfinohydrazide.
What is the SMILES notation for N'-[1-(2,6-dimethylphenyl)ethyl]-4-methylbenzenesulfinohydrazide?
The canonical SMILES for N'-[1-(2,6-dimethylphenyl)ethyl]-4-methylbenzenesulfinohydrazide is Cc1ccc(S(=O)NNC(C)c2c(C)cccc2C)cc1.
What is the InChIKey of N'-[1-(2,6-dimethylphenyl)ethyl]-4-methylbenzenesulfinohydrazide?
The InChIKey is ZCOFYTPECFMDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12-8-10-16(11-9-12)21(20)19-18-15(4)17-13(2)6-5-7-14(17)3/h5-11,15,18-19H,1-4H3.
What are the key properties of N'-[1-(2,6-dimethylphenyl)ethyl]-4-methylbenzenesulfinohydrazide?
N'-[1-(2,6-dimethylphenyl)ethyl]-4-methylbenzenesulfinohydrazide has a molecular weight of 302.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,6-dimethylphenyl)ethyl]-4-methylbenzenesulfinohydrazide is sourced from PubChem (CID 176557213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).