2,2,6,6-tetramethyl-N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidin-4-amine

C19H30N4O5S — CID 18144600

IUPAC2,2,6,6-tetramethyl-N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidin-4-amine
SMILESCC1(C)CC(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC(C)(C)N1
InChIInChI=1S/C19H30N4O5S/c1-18(2)12-14(13-19(3,4)21-18)20-16-6-5-15(23(24)25)11-17(16)29(26,27)22-7-9-28-10-8-22/h5-6,11,14,20-21H,7-10,12-13H2,1-4H3
InChIKeyQNQVJDPQBFFVSO-UHFFFAOYSA-N
MW426.54 g/mol
LogP2.34
Rot. Bonds5

About 2,2,6,6-tetramethyl-N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidin-4-amine

2,2,6,6-tetramethyl-N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidin-4-amine (PubChem CID 18144600) has the molecular formula C19H30N4O5S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidin-4-amine
PubChem CID18144600
Molecular FormulaC19H30N4O5S
Molecular Weight426.54 g/mol
Exact Mass426.19
IUPAC Name2,2,6,6-tetramethyl-N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidin-4-amine
SMILESCC1(C)CC(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC(C)(C)N1
InChIInChI=1S/C19H30N4O5S/c1-18(2)12-14(13-19(3,4)21-18)20-16-6-5-15(23(24)25)11-17(16)29(26,27)22-7-9-28-10-8-22/h5-6,11,14,20-21H,7-10,12-13H2,1-4H3
InChIKeyQNQVJDPQBFFVSO-UHFFFAOYSA-N
XLogP2.34
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-(4-methylcyclohexyl)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 46797878
N-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)cycloheptanamine
CID 18074906
N-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377672
N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 9078082
N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 9078080
4-(2-ethyl-5-nitrophenyl)sulfonylmorpholine
CID 47454150
N-[1-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 43025711
N-[(1R)-2-methyl-1-phenylpropyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 25386671
1-[4-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperazin-1-yl]ethanone
CID 3276698
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 25386677
N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 71923730
N-(benzylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 5176460

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidin-4-amine?
The IUPAC name of 2,2,6,6-tetramethyl-N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidin-4-amine (CID 18144600) is 2,2,6,6-tetramethyl-N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidin-4-amine?
The canonical SMILES for 2,2,6,6-tetramethyl-N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidin-4-amine is CC1(C)CC(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC(C)(C)N1.
What is the InChIKey of 2,2,6,6-tetramethyl-N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidin-4-amine?
The InChIKey is QNQVJDPQBFFVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O5S/c1-18(2)12-14(13-19(3,4)21-18)20-16-6-5-15(23(24)25)11-17(16)29(26,27)22-7-9-28-10-8-22/h5-6,11,14,20-21H,7-10,12-13H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidin-4-amine?
2,2,6,6-tetramethyl-N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidin-4-amine has a molecular weight of 426.54 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 18144600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).