(3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine

C11H14ClN3O4S — CID 28522353

IUPAC(3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine
SMILESN[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C1
InChIInChI=1S/C11H14ClN3O4S/c12-10-4-3-9(15(16)17)6-11(10)20(18,19)14-5-1-2-8(13)7-14/h3-4,6,8H,1-2,5,7,13H2/t8-/m1/s1
InChIKeyDSUNLJIWPREECN-MRVPVSSYSA-N
MW319.77 g/mol
LogP1.36
Rot. Bonds3

About (3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine

(3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine (PubChem CID 28522353) has the molecular formula C11H14ClN3O4S and a molecular weight of 319.77 g/mol. Its IUPAC name is (3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine
PubChem CID28522353
Molecular FormulaC11H14ClN3O4S
Molecular Weight319.77 g/mol
Exact Mass319.04
IUPAC Name(3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine
SMILESN[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C1
InChIInChI=1S/C11H14ClN3O4S/c12-10-4-3-9(15(16)17)6-11(10)20(18,19)14-5-1-2-8(13)7-14/h3-4,6,8H,1-2,5,7,13H2/t8-/m1/s1
InChIKeyDSUNLJIWPREECN-MRVPVSSYSA-N
XLogP1.36
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 51.36
H-Bond Donors ≤ 51
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

1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine
CID 29034322
1-(2-chloro-5-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536392
1-(2-ethyl-5-nitrophenyl)sulfonylpiperidin-3-amine
CID 119959916
1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971647
1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidin-2-amine
CID 43101946
1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031991
1-(2-chloro-5-nitrophenyl)sulfonyl-3-methylpiperidin-2-amine
CID 107070692
1-(2-chloro-5-nitrophenyl)sulfonyl-3-methoxypyrrolidine
CID 103532779
1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 120998781
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
1-(2-chloro-4-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714937
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine?
The IUPAC name of (3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine (CID 28522353) is (3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for (3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine is N[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C1.
What is the InChIKey of (3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine?
The InChIKey is DSUNLJIWPREECN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14ClN3O4S/c12-10-4-3-9(15(16)17)6-11(10)20(18,19)14-5-1-2-8(13)7-14/h3-4,6,8H,1-2,5,7,13H2/t8-/m1/s1.
What are the key properties of (3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine?
(3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine has a molecular weight of 319.77 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 28522353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).