5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide

C10H17N3O4S2 — CID 80746992

IUPAC5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1
InChIInChI=1S/C10H17N3O4S2/c1-4-5-7(2)12-19(16,17)9-6-8(13(14)15)10(11-3)18-9/h6-7,11-12H,4-5H2,1-3H3
InChIKeyMJADGKGBFMKYPX-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.16
Rot. Bonds7

About 5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide

5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide (PubChem CID 80746992) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide
PubChem CID80746992
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC Name5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1
InChIInChI=1S/C10H17N3O4S2/c1-4-5-7(2)12-19(16,17)9-6-8(13(14)15)10(11-3)18-9/h6-7,11-12H,4-5H2,1-3H3
InChIKeyMJADGKGBFMKYPX-UHFFFAOYSA-N
XLogP2.16
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.16
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-(1-ethoxypropan-2-yl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
CID 80731435
5-(ethylamino)-N-hexan-3-yl-4-nitrothiophene-2-sulfonamide
CID 80730755
5-chloro-N-(6-methylheptan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80736166
5-(ethylamino)-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80746591
N-[2-(methanesulfonamido)ethyl]-5-(methylamino)-4-nitrothiophene-2-sulfonamide
CID 80731405
5-amino-N-(1-ethoxypropan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80747699
5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80741993
5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 80747707
N-tert-butyl-4-nitro-5-(propylamino)thiophene-2-sulfonamide
CID 80746901
N-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742339
5-(methylamino)-N-[(3-methylcyclopentyl)methyl]-4-nitrothiophene-2-sulfonamide
CID 107415149
5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80727859

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide?
The IUPAC name of 5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide (CID 80746992) is 5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide is CCCC(C)NS(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1.
What is the InChIKey of 5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide?
The InChIKey is MJADGKGBFMKYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c1-4-5-7(2)12-19(16,17)9-6-8(13(14)15)10(11-3)18-9/h6-7,11-12H,4-5H2,1-3H3.
What are the key properties of 5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide?
5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide has a molecular weight of 307.40 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 80746992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).