4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-propylpiperidin-4-ylidene)amino]aniline

C18H27N5O5S — CID 3308565

IUPAC4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-propylpiperidin-4-ylidene)amino]aniline
SMILESCCCN1CCC(=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C18H27N5O5S/c1-2-7-21-8-5-15(6-9-21)19-20-17-4-3-16(14-18(17)23(24)25)29(26,27)22-10-12-28-13-11-22/h3-4,14,20H,2,5-13H2,1H3
InChIKeyMITHIUBSAMMSKI-UHFFFAOYSA-N
MW425.51 g/mol
LogP1.89
Rot. Bonds7

About 4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-propylpiperidin-4-ylidene)amino]aniline

4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-propylpiperidin-4-ylidene)amino]aniline (PubChem CID 3308565) has the molecular formula C18H27N5O5S and a molecular weight of 425.51 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-propylpiperidin-4-ylidene)amino]aniline.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-propylpiperidin-4-ylidene)amino]aniline
PubChem CID3308565
Molecular FormulaC18H27N5O5S
Molecular Weight425.51 g/mol
Exact Mass425.17
IUPAC Name4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-propylpiperidin-4-ylidene)amino]aniline
SMILESCCCN1CCC(=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C18H27N5O5S/c1-2-7-21-8-5-15(6-9-21)19-20-17-4-3-16(14-18(17)23(24)25)29(26,27)22-10-12-28-13-11-22/h3-4,14,20H,2,5-13H2,1H3
InChIKeyMITHIUBSAMMSKI-UHFFFAOYSA-N
XLogP1.89
TPSA117.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 7529719
N-[(3-methylcyclohexylidene)amino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 4122087
4-morpholin-4-ylsulfonyl-2-nitro-N-pentylaniline
CID 40714555
N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 9060765
N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide
CID 3881300
N-(5-methylhexan-2-ylideneamino)-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 3986579
4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline
CID 3954704
N-[(E)-furan-2-ylmethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 42991051
(2R)-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)propan-1-ol
CID 95329271
(2S)-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)propan-1-ol
CID 95329270
N-(2-benzylideneheptylideneamino)-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 5134326
4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 6105790

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-propylpiperidin-4-ylidene)amino]aniline?
The IUPAC name of 4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-propylpiperidin-4-ylidene)amino]aniline (CID 3308565) is 4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-propylpiperidin-4-ylidene)amino]aniline.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-propylpiperidin-4-ylidene)amino]aniline?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-propylpiperidin-4-ylidene)amino]aniline is CCCN1CCC(=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-propylpiperidin-4-ylidene)amino]aniline?
The InChIKey is MITHIUBSAMMSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O5S/c1-2-7-21-8-5-15(6-9-21)19-20-17-4-3-16(14-18(17)23(24)25)29(26,27)22-10-12-28-13-11-22/h3-4,14,20H,2,5-13H2,1H3.
What are the key properties of 4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-propylpiperidin-4-ylidene)amino]aniline?
4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-propylpiperidin-4-ylidene)amino]aniline has a molecular weight of 425.51 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-propylpiperidin-4-ylidene)amino]aniline is sourced from PubChem (CID 3308565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).