1,1-dioxo-5-(propan-2-ylsulfonylmethyl)-1,2-thiazol-3-amine

C7H12N2O4S2 — CID 117216950

IUPAC1,1-dioxo-5-(propan-2-ylsulfonylmethyl)-1,2-thiazol-3-amine
SMILESCC(C)S(=O)(=O)CC1=CC(N)=NS1(=O)=O
InChIInChI=1S/C7H12N2O4S2/c1-5(2)14(10,11)4-6-3-7(8)9-15(6,12)13/h3,5H,4H2,1-2H3,(H2,8,9)
InChIKeyRVWRBMUDTRUAIJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.61
Rot. Bonds3

About 1,1-dioxo-5-(propan-2-ylsulfonylmethyl)-1,2-thiazol-3-amine

1,1-dioxo-5-(propan-2-ylsulfonylmethyl)-1,2-thiazol-3-amine (PubChem CID 117216950) has the molecular formula C7H12N2O4S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1,1-dioxo-5-(propan-2-ylsulfonylmethyl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name1,1-dioxo-5-(propan-2-ylsulfonylmethyl)-1,2-thiazol-3-amine
PubChem CID117216950
Molecular FormulaC7H12N2O4S2
Molecular Weight252.32 g/mol
Exact Mass252.02
IUPAC Name1,1-dioxo-5-(propan-2-ylsulfonylmethyl)-1,2-thiazol-3-amine
SMILESCC(C)S(=O)(=O)CC1=CC(N)=NS1(=O)=O
InChIInChI=1S/C7H12N2O4S2/c1-5(2)14(10,11)4-6-3-7(8)9-15(6,12)13/h3,5H,4H2,1-2H3,(H2,8,9)
InChIKeyRVWRBMUDTRUAIJ-UHFFFAOYSA-N
XLogP-0.61
TPSA106.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-1,1-dioxo-1,2-thiazol-5-yl)-propan-2-ylsulfonylmethanone
CID 117218175
[1,1-dioxo-2-(propan-2-ylsulfonylmethyl)-1-benzothiophen-6-yl]methanamine
CID 117179495
4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine
CID 117216202
1,1-dioxo-3-(propan-2-ylsulfonylmethyl)-1-benzothiophen-6-amine
CID 117177850
1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole
CID 117188344
5-fluoro-2-(propan-2-ylsulfonylmethyl)aniline
CID 64769392
3-(propan-2-ylsulfonylmethyl)-1,2-oxazole
CID 20761928
(5-amino-1,1-dioxo-1,2-thiazol-4-yl)-propan-2-ylsulfonylmethanone
CID 117213412
3-(propan-2-ylsulfonylmethyl)-1-benzothiophen-6-amine
CID 117178065
4-methyl-3-(propan-2-ylsulfonylmethyl)-1-benzothiophene 1,1-dioxide
CID 117184468
2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole
CID 117192612
4-(propan-2-ylsulfonylmethyl)-3-(trifluoromethyl)aniline
CID 81117982

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-5-(propan-2-ylsulfonylmethyl)-1,2-thiazol-3-amine?
The IUPAC name of 1,1-dioxo-5-(propan-2-ylsulfonylmethyl)-1,2-thiazol-3-amine (CID 117216950) is 1,1-dioxo-5-(propan-2-ylsulfonylmethyl)-1,2-thiazol-3-amine.
What is the SMILES notation for 1,1-dioxo-5-(propan-2-ylsulfonylmethyl)-1,2-thiazol-3-amine?
The canonical SMILES for 1,1-dioxo-5-(propan-2-ylsulfonylmethyl)-1,2-thiazol-3-amine is CC(C)S(=O)(=O)CC1=CC(N)=NS1(=O)=O.
What is the InChIKey of 1,1-dioxo-5-(propan-2-ylsulfonylmethyl)-1,2-thiazol-3-amine?
The InChIKey is RVWRBMUDTRUAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4S2/c1-5(2)14(10,11)4-6-3-7(8)9-15(6,12)13/h3,5H,4H2,1-2H3,(H2,8,9).
What are the key properties of 1,1-dioxo-5-(propan-2-ylsulfonylmethyl)-1,2-thiazol-3-amine?
1,1-dioxo-5-(propan-2-ylsulfonylmethyl)-1,2-thiazol-3-amine has a molecular weight of 252.32 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-5-(propan-2-ylsulfonylmethyl)-1,2-thiazol-3-amine is sourced from PubChem (CID 117216950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).