N-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine

C10H15N3O5S2 — CID 80746916

IUPACN-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine
SMILESCNc1sc(S(=O)(=O)N2CCOCC2C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O5S2/c1-7-6-18-4-3-12(7)20(16,17)9-5-8(13(14)15)10(11-2)19-9/h5,7,11H,3-4,6H2,1-2H3
InChIKeyGBFQUWMYLUFSGA-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.11
Rot. Bonds4

About N-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine

N-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine (PubChem CID 80746916) has the molecular formula C10H15N3O5S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine.

Molecular Properties

Compound NameN-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine
PubChem CID80746916
Molecular FormulaC10H15N3O5S2
Molecular Weight321.38 g/mol
Exact Mass321.05
IUPAC NameN-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine
SMILESCNc1sc(S(=O)(=O)N2CCOCC2C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O5S2/c1-7-6-18-4-3-12(7)20(16,17)9-5-8(13(14)15)10(11-2)19-9/h5,7,11H,3-4,6H2,1-2H3
InChIKeyGBFQUWMYLUFSGA-UHFFFAOYSA-N
XLogP1.11
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
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

5-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-methyl-3-nitrothiophen-2-amine
CID 80744932
N-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-4-nitroaniline
CID 62146794
5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-N-methyl-3-nitrothiophen-2-amine
CID 80731437
4-(3-methylmorpholin-4-yl)sulfonyl-2-nitrophenol
CID 43429174
(5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine
CID 80742394
3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid
CID 106773984
4-[5-(methylamino)-4-nitrothiophen-2-yl]sulfonylpiperazin-2-one
CID 80747006
4-(2-chloro-5-nitrophenyl)sulfonyl-3-methylmorpholine
CID 43429161
5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide
CID 83016233
5-(methylamino)-N-[(3-methylcyclopentyl)methyl]-4-nitrothiophene-2-sulfonamide
CID 107415149
4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
CID 47171390
(2S)-1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-2-methylpiperazine
CID 82755670

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine?
The IUPAC name of N-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine (CID 80746916) is N-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine.
What is the SMILES notation for N-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine?
The canonical SMILES for N-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine is CNc1sc(S(=O)(=O)N2CCOCC2C)cc1[N+](=O)[O-].
What is the InChIKey of N-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine?
The InChIKey is GBFQUWMYLUFSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S2/c1-7-6-18-4-3-12(7)20(16,17)9-5-8(13(14)15)10(11-2)19-9/h5,7,11H,3-4,6H2,1-2H3.
What are the key properties of N-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine?
N-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine has a molecular weight of 321.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine is sourced from PubChem (CID 80746916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).