1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine

C10H13N3O5S — CID 65244885

IUPAC1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CC(N)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H13N3O5S/c1-18-8-2-3-10(9(4-8)13(14)15)19(16,17)12-5-7(11)6-12/h2-4,7H,5-6,11H2,1H3
InChIKeyGWIYXBSODVAQRC-UHFFFAOYSA-N
MW287.30 g/mol
LogP-0.06
Rot. Bonds4

About 1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine

1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine (PubChem CID 65244885) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is 1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine.

Molecular Properties

Compound Name1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine
PubChem CID65244885
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CC(N)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H13N3O5S/c1-18-8-2-3-10(9(4-8)13(14)15)19(16,17)12-5-7(11)6-12/h2-4,7H,5-6,11H2,1H3
InChIKeyGWIYXBSODVAQRC-UHFFFAOYSA-N
XLogP-0.06
TPSA115.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine
CID 28540026
(3R)-1-(4-methoxy-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-one
CID 99786942
1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-2-amine
CID 14786920
4-(4-methoxy-2-nitrophenyl)sulfonyl-1,4-thiazepane
CID 71941403
4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 55571141
(3S,6S)-1-(4-methoxy-2-nitrophenyl)sulfonyl-6-methylpiperidine-3-carboxamide
CID 51957405
sodium 4-methoxy-2-nitrobenzenesulfonate
CID 112704965
2-(4-methoxy-2-nitrophenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120718587
1-[4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]ethanone
CID 31758345
1-(4-methoxy-2-nitrophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969721
1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 120706073
1-(4-methoxy-2-nitrophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 31066314

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine?
The IUPAC name of 1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine (CID 65244885) is 1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine.
What is the SMILES notation for 1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine?
The canonical SMILES for 1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine is COc1ccc(S(=O)(=O)N2CC(N)C2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine?
The InChIKey is GWIYXBSODVAQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c1-18-8-2-3-10(9(4-8)13(14)15)19(16,17)12-5-7(11)6-12/h2-4,7H,5-6,11H2,1H3.
What are the key properties of 1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine?
1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine has a molecular weight of 287.30 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine is sourced from PubChem (CID 65244885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).