N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C15H28N2O2S2 — CID 106079151

IUPACN-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCc1csc(CNC(C)C)c1S(=O)(=O)NC(C)C(C)(C)C
InChIInChI=1S/C15H28N2O2S2/c1-10(2)16-8-13-14(11(3)9-20-13)21(18,19)17-12(4)15(5,6)7/h9-10,12,16-17H,8H2,1-7H3
InChIKeyFNQUFMNITCGOKC-UHFFFAOYSA-N
MW332.54 g/mol
LogP3.27
Rot. Bonds6

About N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 106079151) has the molecular formula C15H28N2O2S2 and a molecular weight of 332.54 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID106079151
Molecular FormulaC15H28N2O2S2
Molecular Weight332.54 g/mol
Exact Mass332.16
IUPAC NameN-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCc1csc(CNC(C)C)c1S(=O)(=O)NC(C)C(C)(C)C
InChIInChI=1S/C15H28N2O2S2/c1-10(2)16-8-13-14(11(3)9-20-13)21(18,19)17-12(4)15(5,6)7/h9-10,12,16-17H,8H2,1-7H3
InChIKeyFNQUFMNITCGOKC-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102751963
N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102755152
N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751897
N-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751342
4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 102754672
2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 106032001
4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102754459
N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102752389
4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide
CID 106050910
N-(1-cyclopropylethyl)-N,4-dimethyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751637
2-(ethylaminomethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106031339
4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
CID 106050209

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 106079151) is N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is Cc1csc(CNC(C)C)c1S(=O)(=O)NC(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is FNQUFMNITCGOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S2/c1-10(2)16-8-13-14(11(3)9-20-13)21(18,19)17-12(4)15(5,6)7/h9-10,12,16-17H,8H2,1-7H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 332.54 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106079151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).