6-nitro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide

C10H14N4O4S — CID 104982564

IUPAC6-nitro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCNC2)cn1
InChIInChI=1S/C10H14N4O4S/c15-14(16)10-4-3-9(7-12-10)19(17,18)13-8-2-1-5-11-6-8/h3-4,7-8,11,13H,1-2,5-6H2/t8-/m0/s1
InChIKeyBKIIQLAJIJUVBZ-QMMMGPOBSA-N
MW286.31 g/mol
LogP0.02
Rot. Bonds4

About 6-nitro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide

6-nitro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide (PubChem CID 104982564) has the molecular formula C10H14N4O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is 6-nitro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-nitro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide
PubChem CID104982564
Molecular FormulaC10H14N4O4S
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name6-nitro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCNC2)cn1
InChIInChI=1S/C10H14N4O4S/c15-14(16)10-4-3-9(7-12-10)19(17,18)13-8-2-1-5-11-6-8/h3-4,7-8,11,13H,1-2,5-6H2/t8-/m0/s1
InChIKeyBKIIQLAJIJUVBZ-QMMMGPOBSA-N
XLogP0.02
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.02
H-Bond Donors ≤ 52
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

4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
N-(azocan-5-yl)-4-nitrobenzenesulfonamide
CID 165494154
4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685610
4-methoxy-3-nitro-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982546
2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723641
4-methoxy-3-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723780
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride
CID 120707588
2-methyl-3-nitro-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716604
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 120716650
N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-nitro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide (CID 104982564) is 6-nitro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-nitro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-nitro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCNC2)cn1.
What is the InChIKey of 6-nitro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide?
The InChIKey is BKIIQLAJIJUVBZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N4O4S/c15-14(16)10-4-3-9(7-12-10)19(17,18)13-8-2-1-5-11-6-8/h3-4,7-8,11,13H,1-2,5-6H2/t8-/m0/s1.
What are the key properties of 6-nitro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide?
6-nitro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide has a molecular weight of 286.31 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 104982564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).