N-[(1S)-1-cyclopropylethyl]-N-methyl-5-nitrothiophene-2-sulfonamide

C10H14N2O4S2 — CID 97086044

IUPACN-[(1S)-1-cyclopropylethyl]-N-methyl-5-nitrothiophene-2-sulfonamide
SMILESC[C@@H](C1CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C10H14N2O4S2/c1-7(8-3-4-8)11(2)18(15,16)10-6-5-9(17-10)12(13)14/h5-8H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyFEHCDFZTHJVUDC-ZETCQYMHSA-N
MW290.37 g/mol
LogP2.08
Rot. Bonds5

About N-[(1S)-1-cyclopropylethyl]-N-methyl-5-nitrothiophene-2-sulfonamide

N-[(1S)-1-cyclopropylethyl]-N-methyl-5-nitrothiophene-2-sulfonamide (PubChem CID 97086044) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-N-methyl-5-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-N-methyl-5-nitrothiophene-2-sulfonamide
PubChem CID97086044
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC NameN-[(1S)-1-cyclopropylethyl]-N-methyl-5-nitrothiophene-2-sulfonamide
SMILESC[C@@H](C1CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C10H14N2O4S2/c1-7(8-3-4-8)11(2)18(15,16)10-6-5-9(17-10)12(13)14/h5-8H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyFEHCDFZTHJVUDC-ZETCQYMHSA-N
XLogP2.08
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-N-methyl-5-nitrothiophene-2-sulfonamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-N-methyl-5-nitrothiophene-2-sulfonamide (CID 97086044) is N-[(1S)-1-cyclopropylethyl]-N-methyl-5-nitrothiophene-2-sulfonamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-N-methyl-5-nitrothiophene-2-sulfonamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-N-methyl-5-nitrothiophene-2-sulfonamide is C[C@@H](C1CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-N-methyl-5-nitrothiophene-2-sulfonamide?
The InChIKey is FEHCDFZTHJVUDC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-7(8-3-4-8)11(2)18(15,16)10-6-5-9(17-10)12(13)14/h5-8H,3-4H2,1-2H3/t7-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-N-methyl-5-nitrothiophene-2-sulfonamide?
N-[(1S)-1-cyclopropylethyl]-N-methyl-5-nitrothiophene-2-sulfonamide has a molecular weight of 290.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-N-methyl-5-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 97086044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).