N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide

C15H25N3O2S — CID 107327941

IUPACN-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)N(CC1CC1)C(C)C
InChIInChI=1S/C15H25N3O2S/c1-10(2)18(9-13-5-6-13)21(19,20)15-11(3)7-14(17-16)8-12(15)4/h7-8,10,13,17H,5-6,9,16H2,1-4H3
InChIKeyVNVASBIPYFONBE-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.40
Rot. Bonds6

About N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide

N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 107327941) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
PubChem CID107327941
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)N(CC1CC1)C(C)C
InChIInChI=1S/C15H25N3O2S/c1-10(2)18(9-13-5-6-13)21(19,20)15-11(3)7-14(17-16)8-12(15)4/h7-8,10,13,17H,5-6,9,16H2,1-4H3
InChIKeyVNVASBIPYFONBE-UHFFFAOYSA-N
XLogP2.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.40
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

N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylbenzenesulfonamide
CID 55000451
4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 107327900
N-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
CID 107328167
3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide
CID 55001335
4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 106996837
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
CID 107328017
4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 55001042
3-(chloromethyl)-N-(cyclopropylmethyl)-4-fluoro-5-methyl-N-propan-2-ylbenzenesulfonamide
CID 81427421
[3,5-dimethyl-4-(3-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine
CID 107328129
N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107327891
5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide
CID 65021026
4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]benzenesulfonyl fluoride
CID 114791532

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide (CID 107327941) is N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide is Cc1cc(NN)cc(C)c1S(=O)(=O)N(CC1CC1)C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is VNVASBIPYFONBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-10(2)18(9-13-5-6-13)21(19,20)15-11(3)7-14(17-16)8-12(15)4/h7-8,10,13,17H,5-6,9,16H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide?
N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 107327941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).