2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide

C8H15N3O2S3 — CID 133327400

IUPAC2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide
SMILESCSC(C)(C)CNc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C8H15N3O2S3/c1-8(2,14-3)5-11-7-10-4-6(15-7)16(9,12)13/h4H,5H2,1-3H3,(H,10,11)(H2,9,12,13)
InChIKeySEBXONFNNVNYCG-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.34
Rot. Bonds5

About 2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide

2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide (PubChem CID 133327400) has the molecular formula C8H15N3O2S3 and a molecular weight of 281.43 g/mol. Its IUPAC name is 2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide
PubChem CID133327400
Molecular FormulaC8H15N3O2S3
Molecular Weight281.43 g/mol
Exact Mass281.03
IUPAC Name2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide
SMILESCSC(C)(C)CNc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C8H15N3O2S3/c1-8(2,14-3)5-11-7-10-4-6(15-7)16(9,12)13/h4H,5H2,1-3H3,(H,10,11)(H2,9,12,13)
InChIKeySEBXONFNNVNYCG-UHFFFAOYSA-N
XLogP1.34
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide (CID 133327400) is 2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide is CSC(C)(C)CNc1ncc(S(N)(=O)=O)s1.
What is the InChIKey of 2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide?
The InChIKey is SEBXONFNNVNYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S3/c1-8(2,14-3)5-11-7-10-4-6(15-7)16(9,12)13/h4H,5H2,1-3H3,(H,10,11)(H2,9,12,13).
What are the key properties of 2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide?
2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide has a molecular weight of 281.43 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133327400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).