N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide

C13H21N3O2S — CID 55248102

IUPACN-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C13H21N3O2S/c1-16(10-11-4-2-3-5-11)19(17,18)13-8-6-12(15-14)7-9-13/h6-9,11,15H,2-5,10,14H2,1H3
InChIKeyFVPRAJFJTIQJBP-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.78
Rot. Bonds5

About N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide

N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide (PubChem CID 55248102) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
PubChem CID55248102
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C13H21N3O2S/c1-16(10-11-4-2-3-5-11)19(17,18)13-8-6-12(15-14)7-9-13/h6-9,11,15H,2-5,10,14H2,1H3
InChIKeyFVPRAJFJTIQJBP-UHFFFAOYSA-N
XLogP1.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.78
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)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 60985675
N-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide
CID 63955641
4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 47291841
N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide
CID 61443170
4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
CID 62854746
N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide
CID 63656151
N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide
CID 81259352
3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 62860940
4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
CID 62067489
N-(cyclobutylmethyl)-4-hydrazinylbenzenesulfonamide
CID 43455189
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422155
3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzenesulfonamide
CID 82846072

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide (CID 55248102) is N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide is CN(CC1CCCC1)S(=O)(=O)c1ccc(NN)cc1.
What is the InChIKey of N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide?
The InChIKey is FVPRAJFJTIQJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-16(10-11-4-2-3-5-11)19(17,18)13-8-6-12(15-14)7-9-13/h6-9,11,15H,2-5,10,14H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide?
N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 55248102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).