2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]propanamide

C9H14N2O3S2 — CID 136536037

IUPAC2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]propanamide
SMILESCc1ncc(S(=O)(=O)NC(=O)C(C)(C)C)s1
InChIInChI=1S/C9H14N2O3S2/c1-6-10-5-7(15-6)16(13,14)11-8(12)9(2,3)4/h5H,1-4H3,(H,11,12)
InChIKeyZHJXHKWFMHIVIU-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.30
Rot. Bonds2

About 2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]propanamide

2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]propanamide (PubChem CID 136536037) has the molecular formula C9H14N2O3S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]propanamide
PubChem CID136536037
Molecular FormulaC9H14N2O3S2
Molecular Weight262.36 g/mol
Exact Mass262.04
IUPAC Name2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]propanamide
SMILESCc1ncc(S(=O)(=O)NC(=O)C(C)(C)C)s1
InChIInChI=1S/C9H14N2O3S2/c1-6-10-5-7(15-6)16(13,14)11-8(12)9(2,3)4/h5H,1-4H3,(H,11,12)
InChIKeyZHJXHKWFMHIVIU-UHFFFAOYSA-N
XLogP1.30
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]propanamide (CID 136536037) is 2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]propanamide is Cc1ncc(S(=O)(=O)NC(=O)C(C)(C)C)s1.
What is the InChIKey of 2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]propanamide?
The InChIKey is ZHJXHKWFMHIVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S2/c1-6-10-5-7(15-6)16(13,14)11-8(12)9(2,3)4/h5H,1-4H3,(H,11,12).
What are the key properties of 2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]propanamide?
2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]propanamide has a molecular weight of 262.36 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]propanamide is sourced from PubChem (CID 136536037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).