(3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine

C12H17N3O5S — CID 28540026

IUPAC(3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](N)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O5S/c1-20-10-4-5-12(11(7-10)15(16)17)21(18,19)14-6-2-3-9(13)8-14/h4-5,7,9H,2-3,6,8,13H2,1H3/t9-/m1/s1
InChIKeyFFAYUHAYKZFSEJ-SECBINFHSA-N
MW315.35 g/mol
LogP0.72
Rot. Bonds4

About (3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine

(3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine (PubChem CID 28540026) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is (3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine
PubChem CID28540026
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name(3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](N)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O5S/c1-20-10-4-5-12(11(7-10)15(16)17)21(18,19)14-6-2-3-9(13)8-14/h4-5,7,9H,2-3,6,8,13H2,1H3/t9-/m1/s1
InChIKeyFFAYUHAYKZFSEJ-SECBINFHSA-N
XLogP0.72
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 ≤ 50.72
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 (3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-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

1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine
CID 65244885
1-(2-bromo-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 120706073
1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-2-amine
CID 14786920
(3R)-1-(4-methoxy-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-one
CID 99786942
4-(4-methoxy-2-nitrophenyl)sulfonyl-1,4-thiazepane
CID 71941403
4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 55571141
1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959764
1-(4-methoxy-2-nitrophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969721
(3S,6S)-1-(4-methoxy-2-nitrophenyl)sulfonyl-6-methylpiperidine-3-carboxamide
CID 51957405
1-(2-methoxy-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120998796
1-(2-ethyl-5-nitrophenyl)sulfonylpiperidin-3-amine
CID 119959916
4-(3-methoxypyrrolidin-1-yl)sulfonyl-3-nitroaniline
CID 103538293

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine?
The IUPAC name of (3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine (CID 28540026) is (3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for (3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine is COc1ccc(S(=O)(=O)N2CCC[C@@H](N)C2)c([N+](=O)[O-])c1.
What is the InChIKey of (3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine?
The InChIKey is FFAYUHAYKZFSEJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-20-10-4-5-12(11(7-10)15(16)17)21(18,19)14-6-2-3-9(13)8-14/h4-5,7,9H,2-3,6,8,13H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine?
(3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine has a molecular weight of 315.35 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 28540026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).