N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide

C11H15N3O4S — CID 99625428

IUPACN-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide
SMILESN[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1
InChIInChI=1S/C11H15N3O4S/c12-11(8-1-2-8)7-13-19(17,18)10-5-3-9(4-6-10)14(15)16/h3-6,8,11,13H,1-2,7,12H2/t11-/m1/s1
InChIKeyMHDVCTLROJBZDH-LLVKDONJSA-N
MW285.32 g/mol
LogP0.61
Rot. Bonds6

About N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide

N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide (PubChem CID 99625428) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide
PubChem CID99625428
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC NameN-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide
SMILESN[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1
InChIInChI=1S/C11H15N3O4S/c12-11(8-1-2-8)7-13-19(17,18)10-5-3-9(4-6-10)14(15)16/h3-6,8,11,13H,1-2,7,12H2/t11-/m1/s1
InChIKeyMHDVCTLROJBZDH-LLVKDONJSA-N
XLogP0.61
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide
CID 115301404
N-(2-amino-2-cyclopropylethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide
CID 115301303
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]acetamide
CID 63764900
N-(2-amino-4-methylpentyl)-4-nitrobenzenesulfonamide
CID 43606335
N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 70066584
methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582816
N-(3-amino-2-hydroxypropyl)-4-nitrobenzenesulfonamide
CID 5233001
N-(2-amino-2-cyclopropylethyl)-4-nitrobenzamide
CID 115301175
N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide
CID 120582635
N-(2-amino-2-cyclopropylethyl)-3-bromo-4-methyl-5-nitrobenzenesulfonamide;hydrochloride
CID 120582360
N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide
CID 120582565
N-(2-hydroxybutyl)-4-nitrobenzenesulfonamide
CID 113492787

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide (CID 99625428) is N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide is N[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1.
What is the InChIKey of N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide?
The InChIKey is MHDVCTLROJBZDH-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15N3O4S/c12-11(8-1-2-8)7-13-19(17,18)10-5-3-9(4-6-10)14(15)16/h3-6,8,11,13H,1-2,7,12H2/t11-/m1/s1.
What are the key properties of N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide?
N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide has a molecular weight of 285.32 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 99625428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).