N',2-dimethyl-2-(4-propan-2-ylsulfanylphenyl)propanehydrazide

C14H22N2OS — CID 116847204

IUPACN',2-dimethyl-2-(4-propan-2-ylsulfanylphenyl)propanehydrazide
SMILESCNNC(=O)C(C)(C)c1ccc(SC(C)C)cc1
InChIInChI=1S/C14H22N2OS/c1-10(2)18-12-8-6-11(7-9-12)14(3,4)13(17)16-15-5/h6-10,15H,1-5H3,(H,16,17)
InChIKeyHUCGAYZWCBCXQD-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.72
Rot. Bonds5

About N',2-dimethyl-2-(4-propan-2-ylsulfanylphenyl)propanehydrazide

N',2-dimethyl-2-(4-propan-2-ylsulfanylphenyl)propanehydrazide (PubChem CID 116847204) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N',2-dimethyl-2-(4-propan-2-ylsulfanylphenyl)propanehydrazide.

Molecular Properties

Compound NameN',2-dimethyl-2-(4-propan-2-ylsulfanylphenyl)propanehydrazide
PubChem CID116847204
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN',2-dimethyl-2-(4-propan-2-ylsulfanylphenyl)propanehydrazide
SMILESCNNC(=O)C(C)(C)c1ccc(SC(C)C)cc1
InChIInChI=1S/C14H22N2OS/c1-10(2)18-12-8-6-11(7-9-12)14(3,4)13(17)16-15-5/h6-10,15H,1-5H3,(H,16,17)
InChIKeyHUCGAYZWCBCXQD-UHFFFAOYSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-propan-2-ylsulfanylphenyl)propan-2-ol
CID 84677942
[2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid
CID 115171438
N-[2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamoyl bromide
CID 115194275
bis(4-propan-2-ylsulfanylphenyl)methanone
CID 134098559
3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
CID 115154519
(4-propan-2-ylsulfanylphenyl)carbamic acid
CID 115170656
2-(4-propan-2-ylsulfanylanilino)acetic acid
CID 82494664
2-(methylamino)-1-(4-propan-2-ylsulfanylphenyl)ethanone
CID 96672644
N-(2-amino-2-ethylbutyl)-4-propan-2-ylsulfanylbenzamide
CID 119643680
2-(3-methoxyphenyl)-N',2-dimethylpropanehydrazide
CID 116847236
2-(4-propan-2-ylsulfanylanilino)ethanol
CID 96671487
(2R)-2-(4-tert-butylphenyl)sulfanylpropanoate
CID 9484202

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-2-(4-propan-2-ylsulfanylphenyl)propanehydrazide?
The IUPAC name of N',2-dimethyl-2-(4-propan-2-ylsulfanylphenyl)propanehydrazide (CID 116847204) is N',2-dimethyl-2-(4-propan-2-ylsulfanylphenyl)propanehydrazide.
What is the SMILES notation for N',2-dimethyl-2-(4-propan-2-ylsulfanylphenyl)propanehydrazide?
The canonical SMILES for N',2-dimethyl-2-(4-propan-2-ylsulfanylphenyl)propanehydrazide is CNNC(=O)C(C)(C)c1ccc(SC(C)C)cc1.
What is the InChIKey of N',2-dimethyl-2-(4-propan-2-ylsulfanylphenyl)propanehydrazide?
The InChIKey is HUCGAYZWCBCXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)18-12-8-6-11(7-9-12)14(3,4)13(17)16-15-5/h6-10,15H,1-5H3,(H,16,17).
What are the key properties of N',2-dimethyl-2-(4-propan-2-ylsulfanylphenyl)propanehydrazide?
N',2-dimethyl-2-(4-propan-2-ylsulfanylphenyl)propanehydrazide has a molecular weight of 266.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-2-(4-propan-2-ylsulfanylphenyl)propanehydrazide is sourced from PubChem (CID 116847204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).