N-(1-aminopropan-2-yl)-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

C12H17N3O2S3 — CID 119982674

IUPACN-(1-aminopropan-2-yl)-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)N(C)C(C)CN)s2)cs1
InChIInChI=1S/C12H17N3O2S3/c1-8(6-13)15(3)20(16,17)12-5-4-11(19-12)10-7-18-9(2)14-10/h4-5,7-8H,6,13H2,1-3H3
InChIKeyCPEQAPBQYUZWMW-UHFFFAOYSA-N
MW331.49 g/mol
LogP2.15
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

N-(1-aminopropan-2-yl)-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (PubChem CID 119982674) has the molecular formula C12H17N3O2S3 and a molecular weight of 331.49 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
PubChem CID119982674
Molecular FormulaC12H17N3O2S3
Molecular Weight331.49 g/mol
Exact Mass331.05
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)N(C)C(C)CN)s2)cs1
InChIInChI=1S/C12H17N3O2S3/c1-8(6-13)15(3)20(16,17)12-5-4-11(19-12)10-7-18-9(2)14-10/h4-5,7-8H,6,13H2,1-3H3
InChIKeyCPEQAPBQYUZWMW-UHFFFAOYSA-N
XLogP2.15
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-aminopropan-2-yl)-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide with MolForge

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Related Compounds

N-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride
CID 119965838
N-(1-aminopropan-2-yl)-N,4,5-trimethylthiophene-2-sulfonamide
CID 86784631
N-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 2795582
N-[2-(aminomethyl)cyclopentyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide;hydrochloride
CID 119985707
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 166223269
(2,4-dimethylphenyl) 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonate
CID 2795743
3-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol
CID 170875141
ethyl 1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate
CID 2795657
N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine
CID 119980061
(2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine
CID 125420054
N-[[1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990493
2-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol
CID 170892793

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (CID 119982674) is N-(1-aminopropan-2-yl)-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is Cc1nc(-c2ccc(S(=O)(=O)N(C)C(C)CN)s2)cs1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is CPEQAPBQYUZWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S3/c1-8(6-13)15(3)20(16,17)12-5-4-11(19-12)10-7-18-9(2)14-10/h4-5,7-8H,6,13H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
N-(1-aminopropan-2-yl)-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 331.49 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 119982674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).