N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide

C13H24N2O3S2 — CID 106080531

IUPACN-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCOCC(C)(C)NS(=O)(=O)c1cc(CNC(C)C)cs1
InChIInChI=1S/C13H24N2O3S2/c1-10(2)14-7-11-6-12(19-8-11)20(16,17)15-13(3,4)9-18-5/h6,8,10,14-15H,7,9H2,1-5H3
InChIKeySJOWZCSZNOXVLG-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.95
Rot. Bonds8

About N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide

N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (PubChem CID 106080531) has the molecular formula C13H24N2O3S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
PubChem CID106080531
Molecular FormulaC13H24N2O3S2
Molecular Weight320.48 g/mol
Exact Mass320.12
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCOCC(C)(C)NS(=O)(=O)c1cc(CNC(C)C)cs1
InChIInChI=1S/C13H24N2O3S2/c1-10(2)14-7-11-6-12(19-8-11)20(16,17)15-13(3,4)9-18-5/h6,8,10,14-15H,7,9H2,1-5H3
InChIKeySJOWZCSZNOXVLG-UHFFFAOYSA-N
XLogP1.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxy-2-methylpropyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106086689
N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106080646
N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106080730
N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106065988
4-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106031631
N-[4-(dimethylamino)butyl]-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106051706
N-(3-fluorophenyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106060564
4-[(propan-2-ylamino)methyl]-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106051299
N-methyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 81064546
N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 115988546
N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylthiophen-3-yl]methyl]propan-2-amine
CID 104961556
N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106080757

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (CID 106080531) is N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is COCC(C)(C)NS(=O)(=O)c1cc(CNC(C)C)cs1.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The InChIKey is SJOWZCSZNOXVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S2/c1-10(2)14-7-11-6-12(19-8-11)20(16,17)15-13(3,4)9-18-5/h6,8,10,14-15H,7,9H2,1-5H3.
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide has a molecular weight of 320.48 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106080531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).