N-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide

C10H13N3O4S — CID 43596906

IUPACN-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide
SMILESNC1CC1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O4S/c11-9-5-10(9)12-18(16,17)6-7-1-3-8(4-2-7)13(14)15/h1-4,9-10,12H,5-6,11H2
InChIKeyBAOJAIPKJQAKER-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.11
Rot. Bonds5

About N-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide

N-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide (PubChem CID 43596906) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide
PubChem CID43596906
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC NameN-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide
SMILESNC1CC1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O4S/c11-9-5-10(9)12-18(16,17)6-7-1-3-8(4-2-7)13(14)15/h1-4,9-10,12H,5-6,11H2
InChIKeyBAOJAIPKJQAKER-UHFFFAOYSA-N
XLogP0.11
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.11
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-[(1R,2R)-2-hydroxycyclohexyl]-1-(4-nitrophenyl)methanesulfonamide
CID 104922450
N-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide
CID 43597025
N-(4-hydroxycyclohexyl)-1-(4-nitrophenyl)methanesulfonamide
CID 43419374
N-(2-methylpiperidin-3-yl)-1-(4-nitrophenyl)methanesulfonamide;hydrochloride
CID 120726600
methyl 4-[(2-aminocyclopropyl)sulfamoylmethyl]benzoate
CID 43597111
1-(4-nitrophenyl)-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119967259
1-(4-nitrophenyl)-N-pentan-3-ylmethanesulfonamide
CID 47164690
2-[(4-nitrophenyl)methylsulfonylamino]ethanesulfonamide
CID 61132756
1-(4-nitrophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120723708
1-N-(4-nitrophenyl)cyclopropane-1,2-diamine
CID 43598872
N-(2-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide
CID 63732751
1-(4-nitrophenyl)-N-prop-2-ynylmethanesulfonamide
CID 58956310

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide (CID 43596906) is N-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide is NC1CC1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide?
The InChIKey is BAOJAIPKJQAKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c11-9-5-10(9)12-18(16,17)6-7-1-3-8(4-2-7)13(14)15/h1-4,9-10,12H,5-6,11H2.
What are the key properties of N-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide?
N-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide has a molecular weight of 271.30 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 43596906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).