[(2R)-3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-yl]hydrazine

C13H22N2O2S — CID 124633956

IUPAC[(2R)-3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-yl]hydrazine
SMILESCc1ccc(S(=O)(=O)C[C@H](NN)C(C)(C)C)cc1
InChIInChI=1S/C13H22N2O2S/c1-10-5-7-11(8-6-10)18(16,17)9-12(15-14)13(2,3)4/h5-8,12,15H,9,14H2,1-4H3/t12-/m0/s1
InChIKeyLWRFXDGUIWUVJR-LBPRGKRZSA-N
MW270.40 g/mol
LogP1.65
Rot. Bonds4

About [(2R)-3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-yl]hydrazine

[(2R)-3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-yl]hydrazine (PubChem CID 124633956) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is [(2R)-3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[(2R)-3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-yl]hydrazine
PubChem CID124633956
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name[(2R)-3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-yl]hydrazine
SMILESCc1ccc(S(=O)(=O)C[C@H](NN)C(C)(C)C)cc1
InChIInChI=1S/C13H22N2O2S/c1-10-5-7-11(8-6-10)18(16,17)9-12(15-14)13(2,3)4/h5-8,12,15H,9,14H2,1-4H3/t12-/m0/s1
InChIKeyLWRFXDGUIWUVJR-LBPRGKRZSA-N
XLogP1.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol
CID 147314995
1-(4-bromophenyl)sulfonyl-N,3,3-trimethylbutan-2-amine
CID 64645057
1-(2,2-diiodoethylsulfonyl)-4-methylbenzene
CID 10993804
3-amino-4-(4-methylphenyl)sulfonylbutan-1-ol
CID 64898402
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide
CID 106357500
1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol
CID 79022105
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 24786515
(2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine
CID 169438793
1-(2,3-dibromopropylsulfonyl)-4-methylbenzene
CID 15697980
4-methyl-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 102415815
methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylmethyl]but-3-enoate
CID 157254302
7-amino-1-(4-methylphenyl)sulfonylheptan-2-ol
CID 118049409

Frequently Asked Questions

What is the IUPAC name of [(2R)-3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-yl]hydrazine?
The IUPAC name of [(2R)-3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-yl]hydrazine (CID 124633956) is [(2R)-3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-yl]hydrazine.
What is the SMILES notation for [(2R)-3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-yl]hydrazine?
The canonical SMILES for [(2R)-3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-yl]hydrazine is Cc1ccc(S(=O)(=O)C[C@H](NN)C(C)(C)C)cc1.
What is the InChIKey of [(2R)-3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-yl]hydrazine?
The InChIKey is LWRFXDGUIWUVJR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10-5-7-11(8-6-10)18(16,17)9-12(15-14)13(2,3)4/h5-8,12,15H,9,14H2,1-4H3/t12-/m0/s1.
What are the key properties of [(2R)-3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-yl]hydrazine?
[(2R)-3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-yl]hydrazine has a molecular weight of 270.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-yl]hydrazine is sourced from PubChem (CID 124633956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).