1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-2-amine

C12H17N3O5S — CID 14786920

IUPAC1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-2-amine
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2N)c([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O5S/c1-20-9-5-6-11(10(8-9)15(16)17)21(18,19)14-7-3-2-4-12(14)13/h5-6,8,12H,2-4,7,13H2,1H3
InChIKeyOUSWOKCBCRRPSO-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.06
Rot. Bonds4

About 1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-2-amine

1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-2-amine (PubChem CID 14786920) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-2-amine.

Molecular Properties

Compound Name1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-2-amine
PubChem CID14786920
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-2-amine
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2N)c([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O5S/c1-20-9-5-6-11(10(8-9)15(16)17)21(18,19)14-7-3-2-4-12(14)13/h5-6,8,12H,2-4,7,13H2,1H3
InChIKeyOUSWOKCBCRRPSO-UHFFFAOYSA-N
XLogP1.06
TPSA115.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.06
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'}

Analyze 1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine
CID 28540026
1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine
CID 65244885
(3S,6S)-1-(4-methoxy-2-nitrophenyl)sulfonyl-6-methylpiperidine-3-carboxamide
CID 51957405
1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-2-amine
CID 43096650
1-(4-methoxy-2-nitrophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969721
4-(2-methylpiperidin-1-yl)sulfonyl-3-nitroaniline
CID 62148619
4-(4-methoxy-2-nitrophenyl)sulfonyl-1,4-thiazepane
CID 71941403
(2R)-2-(4-methoxyphenyl)-1-(2-nitrophenyl)sulfonylazepane
CID 26545104
(3R)-1-(4-methoxy-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-one
CID 99786942
4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 55571141
sodium 4-methoxy-2-nitrobenzenesulfonate
CID 112704965
1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine
CID 19682578

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-2-amine?
The IUPAC name of 1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-2-amine (CID 14786920) is 1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-2-amine.
What is the SMILES notation for 1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-2-amine?
The canonical SMILES for 1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-2-amine is COc1ccc(S(=O)(=O)N2CCCCC2N)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-2-amine?
The InChIKey is OUSWOKCBCRRPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-20-9-5-6-11(10(8-9)15(16)17)21(18,19)14-7-3-2-4-12(14)13/h5-6,8,12H,2-4,7,13H2,1H3.
What are the key properties of 1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-2-amine?
1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-2-amine has a molecular weight of 315.35 g/mol, XLogP of 1.06, 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)sulfonylpiperidin-2-amine is sourced from PubChem (CID 14786920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).