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

C13H24N2O2S3 — CID 115988546

IUPACN-methyl-N-(1-methylsulfanylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCSCC(C)N(C)S(=O)(=O)c1cc(CNC(C)C)cs1
InChIInChI=1S/C13H24N2O2S3/c1-10(2)14-7-12-6-13(19-9-12)20(16,17)15(4)11(3)8-18-5/h6,9-11,14H,7-8H2,1-5H3
InChIKeyOBMRJZHFGPDLOD-UHFFFAOYSA-N
MW336.55 g/mol
LogP2.62
Rot. Bonds8

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

N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (PubChem CID 115988546) has the molecular formula C13H24N2O2S3 and a molecular weight of 336.55 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
PubChem CID115988546
Molecular FormulaC13H24N2O2S3
Molecular Weight336.55 g/mol
Exact Mass336.10
IUPAC NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCSCC(C)N(C)S(=O)(=O)c1cc(CNC(C)C)cs1
InChIInChI=1S/C13H24N2O2S3/c1-10(2)14-7-12-6-13(19-9-12)20(16,17)15(4)11(3)8-18-5/h6,9-11,14H,7-8H2,1-5H3
InChIKeyOBMRJZHFGPDLOD-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 112656690
N-methyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 81064546
N-[4-(dimethylamino)butyl]-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106051706
5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 115988589
N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 115988696
N-(2-ethoxy-2-methylpropyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106086689
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-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106080531
N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide
CID 112667445
N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylthiophen-3-yl]methyl]propan-2-amine
CID 104961556

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (CID 115988546) is N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is CSCC(C)N(C)S(=O)(=O)c1cc(CNC(C)C)cs1.
What is the InChIKey of N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The InChIKey is OBMRJZHFGPDLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S3/c1-10(2)14-7-12-6-13(19-9-12)20(16,17)15(4)11(3)8-18-5/h6,9-11,14H,7-8H2,1-5H3.
What are the key properties of N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide has a molecular weight of 336.55 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 115988546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).