(5-propylsulfonyl-1,3-thiazol-2-yl)methanamine

C7H12N2O2S2 — CID 155532323

IUPAC(5-propylsulfonyl-1,3-thiazol-2-yl)methanamine
SMILESCCCS(=O)(=O)c1cnc(CN)s1
InChIInChI=1S/C7H12N2O2S2/c1-2-3-13(10,11)7-5-9-6(4-8)12-7/h5H,2-4,8H2,1H3
InChIKeyOZYJJMNLSHTWAP-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.79
Rot. Bonds4

About (5-propylsulfonyl-1,3-thiazol-2-yl)methanamine

(5-propylsulfonyl-1,3-thiazol-2-yl)methanamine (PubChem CID 155532323) has the molecular formula C7H12N2O2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is (5-propylsulfonyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-propylsulfonyl-1,3-thiazol-2-yl)methanamine
PubChem CID155532323
Molecular FormulaC7H12N2O2S2
Molecular Weight220.32 g/mol
Exact Mass220.03
IUPAC Name(5-propylsulfonyl-1,3-thiazol-2-yl)methanamine
SMILESCCCS(=O)(=O)c1cnc(CN)s1
InChIInChI=1S/C7H12N2O2S2/c1-2-3-13(10,11)7-5-9-6(4-8)12-7/h5H,2-4,8H2,1H3
InChIKeyOZYJJMNLSHTWAP-UHFFFAOYSA-N
XLogP0.79
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-propylsulfonyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (5-propylsulfonyl-1,3-thiazol-2-yl)methanamine (CID 155532323) is (5-propylsulfonyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (5-propylsulfonyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (5-propylsulfonyl-1,3-thiazol-2-yl)methanamine is CCCS(=O)(=O)c1cnc(CN)s1.
What is the InChIKey of (5-propylsulfonyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is OZYJJMNLSHTWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S2/c1-2-3-13(10,11)7-5-9-6(4-8)12-7/h5H,2-4,8H2,1H3.
What are the key properties of (5-propylsulfonyl-1,3-thiazol-2-yl)methanamine?
(5-propylsulfonyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 220.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propylsulfonyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 155532323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).