4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide

C12H22N2O2S2 — CID 102751963

IUPAC4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1scc(C)c1S(=O)(=O)NC(C)C
InChIInChI=1S/C12H22N2O2S2/c1-5-6-13-7-11-12(10(4)8-17-11)18(15,16)14-9(2)3/h8-9,13-14H,5-7H2,1-4H3
InChIKeyPSQOCEREFJGZLL-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.24
Rot. Bonds7

About 4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide

4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide (PubChem CID 102751963) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide
PubChem CID102751963
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1scc(C)c1S(=O)(=O)NC(C)C
InChIInChI=1S/C12H22N2O2S2/c1-5-6-13-7-11-12(10(4)8-17-11)18(15,16)14-9(2)3/h8-9,13-14H,5-7H2,1-4H3
InChIKeyPSQOCEREFJGZLL-UHFFFAOYSA-N
XLogP2.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106084023
N',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide
CID 114141864
N-(cyclopentylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027277
N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102752081
N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106079151
2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 106032001
N-(2,2-dimethylcyclopropyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102753136
4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081622
2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide
CID 106068456
N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106055304
2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
CID 106058141
4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
CID 106089237

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of 4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide (CID 102751963) is 4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for 4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide is CCCNCc1scc(C)c1S(=O)(=O)NC(C)C.
What is the InChIKey of 4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is PSQOCEREFJGZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-5-6-13-7-11-12(10(4)8-17-11)18(15,16)14-9(2)3/h8-9,13-14H,5-7H2,1-4H3.
What are the key properties of 4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide?
4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 290.45 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102751963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).