(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine

C7H12N2O2S2 — CID 91158217

IUPAC(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine
SMILESCC(C)S(=O)(=O)c1csc(CN)n1
InChIInChI=1S/C7H12N2O2S2/c1-5(2)13(10,11)7-4-12-6(3-8)9-7/h4-5H,3,8H2,1-2H3
InChIKeyWCGNDFKIBWSLKG-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.78
Rot. Bonds3

About (4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine

(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine (PubChem CID 91158217) has the molecular formula C7H12N2O2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is (4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine
PubChem CID91158217
Molecular FormulaC7H12N2O2S2
Molecular Weight220.32 g/mol
Exact Mass220.03
IUPAC Name(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine
SMILESCC(C)S(=O)(=O)c1csc(CN)n1
InChIInChI=1S/C7H12N2O2S2/c1-5(2)13(10,11)7-4-12-6(3-8)9-7/h4-5H,3,8H2,1-2H3
InChIKeyWCGNDFKIBWSLKG-UHFFFAOYSA-N
XLogP0.78
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine (CID 91158217) is (4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine is CC(C)S(=O)(=O)c1csc(CN)n1.
What is the InChIKey of (4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is WCGNDFKIBWSLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S2/c1-5(2)13(10,11)7-4-12-6(3-8)9-7/h4-5H,3,8H2,1-2H3.
What are the key properties of (4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine?
(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 220.32 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 91158217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).