2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C15H28N2O2S2 — CID 106053785

IUPAC2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1cc(CNC(C)C)sc1C
InChIInChI=1S/C15H28N2O2S2/c1-7-11(4)12(5)17-21(18,19)15-8-14(20-13(15)6)9-16-10(2)3/h8,10-12,16-17H,7,9H2,1-6H3
InChIKeyZYWBHYLZDBYAAB-UHFFFAOYSA-N
MW332.54 g/mol
LogP3.27
Rot. Bonds8

About 2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 106053785) has the molecular formula C15H28N2O2S2 and a molecular weight of 332.54 g/mol. Its IUPAC name is 2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID106053785
Molecular FormulaC15H28N2O2S2
Molecular Weight332.54 g/mol
Exact Mass332.16
IUPAC Name2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1cc(CNC(C)C)sc1C
InChIInChI=1S/C15H28N2O2S2/c1-7-11(4)12(5)17-21(18,19)15-8-14(20-13(15)6)9-16-10(2)3/h8,10-12,16-17H,7,9H2,1-6H3
InChIKeyZYWBHYLZDBYAAB-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077528
N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106080646
2-bromo-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106029847
2-methyl-N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106075307
2-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106031780
2-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106076237
N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106063280
2-bromo-N-(1-methylsulfanylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106083789
N-(1-methoxy-3-methylbutan-2-yl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106068684
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106074298
1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106053778

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 106053785) is 2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is CCC(C)C(C)NS(=O)(=O)c1cc(CNC(C)C)sc1C.
What is the InChIKey of 2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is ZYWBHYLZDBYAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S2/c1-7-11(4)12(5)17-21(18,19)15-8-14(20-13(15)6)9-16-10(2)3/h8,10-12,16-17H,7,9H2,1-6H3.
What are the key properties of 2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 332.54 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106053785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).