N-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide

C11H18N4O4S — CID 83269054

IUPACN-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
SMILESCc1cnc(NCC(C)(C)NS(C)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O4S/c1-8-6-12-10(5-9(8)15(16)17)13-7-11(2,3)14-20(4,18)19/h5-6,14H,7H2,1-4H3,(H,12,13)
InChIKeyUOAVHRGSVYNQIC-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.04
Rot. Bonds6

About N-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide

N-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide (PubChem CID 83269054) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
PubChem CID83269054
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC NameN-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
SMILESCc1cnc(NCC(C)(C)NS(C)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O4S/c1-8-6-12-10(5-9(8)15(16)17)13-7-11(2,3)14-20(4,18)19/h5-6,14H,7H2,1-4H3,(H,12,13)
InChIKeyUOAVHRGSVYNQIC-UHFFFAOYSA-N
XLogP1.04
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.04
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

N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 83268563
5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 83267804
N-tert-butyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83268004
N-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine
CID 83267138
N-[2-methyl-1-(2-nitroanilino)propan-2-yl]methanesulfonamide
CID 63858648
2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83267356
N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267584
N-[2-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-yl]methanesulfonamide
CID 80818699
4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842603
N-[1-(5-fluoro-2-nitroanilino)-2-methylpropan-2-yl]methanesulfonamide
CID 63860412
N-[1-(5-bromo-2-nitroanilino)-2-methylpropan-2-yl]methanesulfonamide
CID 65343659

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide (CID 83269054) is N-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide is Cc1cnc(NCC(C)(C)NS(C)(=O)=O)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide?
The InChIKey is UOAVHRGSVYNQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-8-6-12-10(5-9(8)15(16)17)13-7-11(2,3)14-20(4,18)19/h5-6,14H,7H2,1-4H3,(H,12,13).
What are the key properties of N-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide?
N-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 83269054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).