N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide

C11H19BrN2O2S2 — CID 114208119

IUPACN-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(CN)C(C)(C)C)sc1Br
InChIInChI=1S/C11H19BrN2O2S2/c1-7-5-9(17-10(7)12)18(15,16)14-8(6-13)11(2,3)4/h5,8,14H,6,13H2,1-4H3
InChIKeyVGVWOFPKLSMJOG-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.47
Rot. Bonds4

About N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide

N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide (PubChem CID 114208119) has the molecular formula C11H19BrN2O2S2 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
PubChem CID114208119
Molecular FormulaC11H19BrN2O2S2
Molecular Weight355.32 g/mol
Exact Mass354.01
IUPAC NameN-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(CN)C(C)(C)C)sc1Br
InChIInChI=1S/C11H19BrN2O2S2/c1-7-5-9(17-10(7)12)18(15,16)14-8(6-13)11(2,3)4/h5,8,14H,6,13H2,1-4H3
InChIKeyVGVWOFPKLSMJOG-UHFFFAOYSA-N
XLogP2.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79989371
5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 79994653
5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide
CID 79934766
5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 79988466
5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 83180558
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanoate
CID 79988235
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide
CID 79987384
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]butanethioamide
CID 79988717
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]butanethioamide
CID 79988073
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxy-3-methylbutanimidamide
CID 79987550
5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide
CID 115692248
5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide
CID 113271709

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide (CID 114208119) is N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC(CN)C(C)(C)C)sc1Br.
What is the InChIKey of N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide?
The InChIKey is VGVWOFPKLSMJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2S2/c1-7-5-9(17-10(7)12)18(15,16)14-8(6-13)11(2,3)4/h5,8,14H,6,13H2,1-4H3.
What are the key properties of N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide?
N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide has a molecular weight of 355.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 114208119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).