[2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

C14H18N2O2S2 — CID 82434343

IUPAC[2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1nc(CS(=O)(=O)c2ccccc2)sc1CN
InChIInChI=1S/C14H18N2O2S2/c1-10(2)14-12(8-15)19-13(16-14)9-20(17,18)11-6-4-3-5-7-11/h3-7,10H,8-9,15H2,1-2H3
InChIKeyCLJKYSPCCYTLKL-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.70
Rot. Bonds5

About [2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

[2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 82434343) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is [2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
PubChem CID82434343
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name[2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1nc(CS(=O)(=O)c2ccccc2)sc1CN
InChIInChI=1S/C14H18N2O2S2/c1-10(2)14-12(8-15)19-13(16-14)9-20(17,18)11-6-4-3-5-7-11/h3-7,10H,8-9,15H2,1-2H3
InChIKeyCLJKYSPCCYTLKL-UHFFFAOYSA-N
XLogP2.70
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (CID 82434343) is [2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is CC(C)c1nc(CS(=O)(=O)c2ccccc2)sc1CN.
What is the InChIKey of [2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is CLJKYSPCCYTLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-10(2)14-12(8-15)19-13(16-14)9-20(17,18)11-6-4-3-5-7-11/h3-7,10H,8-9,15H2,1-2H3.
What are the key properties of [2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
[2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 310.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82434343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).